4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

C42H30 — CID 163218423

IUPAC4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESC1=C(c2ccccc2)Cc2ccccc2-c2cc(-c3cccc4c3-c3ccccc3C(=Cc3ccccc3)C4)ccc21
InChIInChI=1S/C42H30/c1-3-12-29(13-4-1)24-36-27-34-17-11-21-39(42(34)40-20-10-9-19-38(36)40)33-23-22-32-26-35(30-14-5-2-6-15-30)25-31-16-7-8-18-37(31)41(32)28-33/h1-24,26,28H,25,27H2
InChIKeyARUXJDKQJBEAKO-UHFFFAOYSA-N
MW534.70 g/mol
LogP10.88
Rot. Bonds3

About 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (PubChem CID 163218423) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.

Molecular Properties

Compound Name4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
PubChem CID163218423
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESC1=C(c2ccccc2)Cc2ccccc2-c2cc(-c3cccc4c3-c3ccccc3C(=Cc3ccccc3)C4)ccc21
InChIInChI=1S/C42H30/c1-3-12-29(13-4-1)24-36-27-34-17-11-21-39(42(34)40-20-10-9-19-38(36)40)33-23-22-32-26-35(30-14-5-2-6-15-30)25-31-16-7-8-18-37(31)41(32)28-33/h1-24,26,28H,25,27H2
InChIKeyARUXJDKQJBEAKO-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene with MolForge

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Related Compounds

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2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran
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9-[3-[4-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
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Frequently Asked Questions

What is the IUPAC name of 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The IUPAC name of 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (CID 163218423) is 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.
What is the SMILES notation for 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The canonical SMILES for 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is C1=C(c2ccccc2)Cc2ccccc2-c2cc(-c3cccc4c3-c3ccccc3C(=Cc3ccccc3)C4)ccc21.
What is the InChIKey of 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The InChIKey is ARUXJDKQJBEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-3-12-29(13-4-1)24-36-27-34-17-11-21-39(42(34)40-20-10-9-19-38(36)40)33-23-22-32-26-35(30-14-5-2-6-15-30)25-31-16-7-8-18-37(31)41(32)28-33/h1-24,26,28H,25,27H2.
What are the key properties of 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene has a molecular weight of 534.70 g/mol, XLogP of 10.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-benzylidene-10H-phenanthren-4-yl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is sourced from PubChem (CID 163218423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).