2,3-dimethoxy-9,10-diphenylphenanthrene

C28H22O2 — CID 86084534

IUPAC2,3-dimethoxy-9,10-diphenylphenanthrene
SMILESCOc1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c2cc1OC
InChIInChI=1S/C28H22O2/c1-29-25-17-23-21-15-9-10-16-22(21)27(19-11-5-3-6-12-19)28(20-13-7-4-8-14-20)24(23)18-26(25)30-2/h3-18H,1-2H3
InChIKeyJRQRRBSWEKPNBU-UHFFFAOYSA-N
MW390.48 g/mol
LogP7.34
Rot. Bonds4

About 2,3-dimethoxy-9,10-diphenylphenanthrene

2,3-dimethoxy-9,10-diphenylphenanthrene (PubChem CID 86084534) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2,3-dimethoxy-9,10-diphenylphenanthrene.

Molecular Properties

Compound Name2,3-dimethoxy-9,10-diphenylphenanthrene
PubChem CID86084534
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name2,3-dimethoxy-9,10-diphenylphenanthrene
SMILESCOc1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c2cc1OC
InChIInChI=1S/C28H22O2/c1-29-25-17-23-21-15-9-10-16-22(21)27(19-11-5-3-6-12-19)28(20-13-7-4-8-14-20)24(23)18-26(25)30-2/h3-18H,1-2H3
InChIKeyJRQRRBSWEKPNBU-UHFFFAOYSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-9,10-diphenylphenanthrene?
The IUPAC name of 2,3-dimethoxy-9,10-diphenylphenanthrene (CID 86084534) is 2,3-dimethoxy-9,10-diphenylphenanthrene.
What is the SMILES notation for 2,3-dimethoxy-9,10-diphenylphenanthrene?
The canonical SMILES for 2,3-dimethoxy-9,10-diphenylphenanthrene is COc1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c2cc1OC.
What is the InChIKey of 2,3-dimethoxy-9,10-diphenylphenanthrene?
The InChIKey is JRQRRBSWEKPNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-29-25-17-23-21-15-9-10-16-22(21)27(19-11-5-3-6-12-19)28(20-13-7-4-8-14-20)24(23)18-26(25)30-2/h3-18H,1-2H3.
What are the key properties of 2,3-dimethoxy-9,10-diphenylphenanthrene?
2,3-dimethoxy-9,10-diphenylphenanthrene has a molecular weight of 390.48 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-9,10-diphenylphenanthrene is sourced from PubChem (CID 86084534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).