9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene

C40H28 — CID 142555564

IUPAC9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3c4ccccc4cc4ccccc34)c2)c2ccccc2)cc1
InChIInChI=1S/C40H28/c1-4-15-29(16-5-1)38(30-17-6-2-7-18-30)39(31-19-8-3-9-20-31)34-23-14-24-35(28-34)40-36-25-12-10-21-32(36)27-33-22-11-13-26-37(33)40/h1-28H
InChIKeySAEVDANSGKWOGK-UHFFFAOYSA-N
MW508.66 g/mol
LogP10.67
Rot. Bonds5

About 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene

9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene (PubChem CID 142555564) has the molecular formula C40H28 and a molecular weight of 508.66 g/mol. Its IUPAC name is 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
PubChem CID142555564
Molecular FormulaC40H28
Molecular Weight508.66 g/mol
Exact Mass508.22
IUPAC Name9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3c4ccccc4cc4ccccc34)c2)c2ccccc2)cc1
InChIInChI=1S/C40H28/c1-4-15-29(16-5-1)38(30-17-6-2-7-18-30)39(31-19-8-3-9-20-31)34-23-14-24-35(28-34)40-36-25-12-10-21-32(36)27-33-22-11-13-26-37(33)40/h1-28H
InChIKeySAEVDANSGKWOGK-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 158189898
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
3-anthracen-9-ylphenol
CID 91210590
2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene
CID 58472030
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
1-(3-acridin-9-ylphenyl)ethanone
CID 18966030
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
1-iodo-10-phenylanthracene
CID 141156342
2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
CID 138548274
1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
CID 81432897
tris(3-anthracen-9-ylphenyl)-methylphosphanium
CID 139257749
2-(3-anthracen-9-ylphenyl)-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 135189619

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
The IUPAC name of 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene (CID 142555564) is 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene.
What is the SMILES notation for 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
The canonical SMILES for 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene is c1ccc(C(=C(c2ccccc2)c2cccc(-c3c4ccccc4cc4ccccc34)c2)c2ccccc2)cc1.
What is the InChIKey of 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
The InChIKey is SAEVDANSGKWOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28/c1-4-15-29(16-5-1)38(30-17-6-2-7-18-30)39(31-19-8-3-9-20-31)34-23-14-24-35(28-34)40-36-25-12-10-21-32(36)27-33-22-11-13-26-37(33)40/h1-28H.
What are the key properties of 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene has a molecular weight of 508.66 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene is sourced from PubChem (CID 142555564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).