9,10-dibenzylidenephenanthrene

C28H20 — CID 135051601

IUPAC9,10-dibenzylidenephenanthrene
SMILESC(c1ccccc1)=c1c(=Cc2ccccc2)c2ccccc2c2ccccc12
InChIInChI=1S/C28H20/c1-3-11-21(12-4-1)19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28(27)20-22-13-5-2-6-14-22/h1-20H
InChIKeyNATKPFSQKOYIFO-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.65
Rot. Bonds2

About 9,10-dibenzylidenephenanthrene

9,10-dibenzylidenephenanthrene (PubChem CID 135051601) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 9,10-dibenzylidenephenanthrene.

Molecular Properties

Compound Name9,10-dibenzylidenephenanthrene
PubChem CID135051601
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name9,10-dibenzylidenephenanthrene
SMILESC(c1ccccc1)=c1c(=Cc2ccccc2)c2ccccc2c2ccccc12
InChIInChI=1S/C28H20/c1-3-11-21(12-4-1)19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28(27)20-22-13-5-2-6-14-22/h1-20H
InChIKeyNATKPFSQKOYIFO-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 70569152
cyclohexylidenemethylbenzene
CID 4158813
4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one
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4,11-bis(2-phenylethenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 9,10-dibenzylidenephenanthrene?
The IUPAC name of 9,10-dibenzylidenephenanthrene (CID 135051601) is 9,10-dibenzylidenephenanthrene.
What is the SMILES notation for 9,10-dibenzylidenephenanthrene?
The canonical SMILES for 9,10-dibenzylidenephenanthrene is C(c1ccccc1)=c1c(=Cc2ccccc2)c2ccccc2c2ccccc12.
What is the InChIKey of 9,10-dibenzylidenephenanthrene?
The InChIKey is NATKPFSQKOYIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20/c1-3-11-21(12-4-1)19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28(27)20-22-13-5-2-6-14-22/h1-20H.
What are the key properties of 9,10-dibenzylidenephenanthrene?
9,10-dibenzylidenephenanthrene has a molecular weight of 356.47 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibenzylidenephenanthrene is sourced from PubChem (CID 135051601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).