Research chemical
(4,4'-Biphenanthrene)-3,3'-diol
CAS Number: 100780-04-9
Product details
Identity & specification
- Molecular formula
- C28H18O2
- Molecular weight
- 386.4 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
10949053
Exact Mass
386.13068
InChIKey
NBWRXHUVCCXVBP-UHFFFAOYSA-N
IUPAC Name
4-(3-hydroxyphenanthren-4-yl)phenanthren-3-ol
SMILES String
Oc1ccc2ccc3ccccc3c2c1-c1c(O)ccc2ccc3ccccc3c12
Physical Properties
No physical property values available.
Show more physical data
XLogP
7.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
30
H-bond acceptors
2
H-bond donors
2
Rotatable bonds
1
Ring count
6
Aromatic rings
6
Topological polar surface area
40.46 Ų
Computed LogP
7.38
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
(4,4'-Biphenanthrene)-3,3'-diol (CAS 100780-04-9) is listed in the Advanced Chemicals portfolio, with molecular formula C28H18O2 and molecular weight 386. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for (4,4'-Biphenanthrene)-3,3'-diol (CAS 100780-04-9)?
(4,4'-Biphenanthrene)-3,3'-diol is identified by CAS 100780-04-9, with molecular formula C28H18O2, molecular weight 386.4, InChIKey NBWRXHUVCCXVBP-UHFFFAOYSA-N.
Can I request a COA for CAS 100780-04-9?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for (4,4'-Biphenanthrene)-3,3'-diol?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100780-04-9 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.