9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene

C47H34 — CID 158189898

IUPAC9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
SMILESCc1cccc(-c2c3ccccc3c(-c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C47H34/c1-33-17-15-24-37(31-33)46-40-27-11-13-29-42(40)47(43-30-14-12-28-41(43)46)39-26-16-25-38(32-39)45(36-22-9-4-10-23-36)44(34-18-5-2-6-19-34)35-20-7-3-8-21-35/h2-32H,1H3
InChIKeyBPAOVKQPVXMIBC-UHFFFAOYSA-N
MW598.79 g/mol
LogP12.64
Rot. Bonds6

About 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene

9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene (PubChem CID 158189898) has the molecular formula C47H34 and a molecular weight of 598.79 g/mol. Its IUPAC name is 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
PubChem CID158189898
Molecular FormulaC47H34
Molecular Weight598.79 g/mol
Exact Mass598.27
IUPAC Name9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
SMILESCc1cccc(-c2c3ccccc3c(-c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C47H34/c1-33-17-15-24-37(31-33)46-40-27-11-13-29-42(40)47(43-30-14-12-28-41(43)46)39-26-16-25-38(32-39)45(36-22-9-4-10-23-36)44(34-18-5-2-6-19-34)35-20-7-3-8-21-35/h2-32H,1H3
InChIKeyBPAOVKQPVXMIBC-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 512.64
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-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 142555564
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene
CID 58472030
10-(3-methylphenyl)anthracene-9-carbonitrile
CID 170561667
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
9-(3-methylphenyl)-2,7-diphenylanthracene
CID 142700269

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
The IUPAC name of 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene (CID 158189898) is 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene.
What is the SMILES notation for 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
The canonical SMILES for 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene is Cc1cccc(-c2c3ccccc3c(-c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
The InChIKey is BPAOVKQPVXMIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34/c1-33-17-15-24-37(31-33)46-40-27-11-13-29-42(40)47(43-30-14-12-28-41(43)46)39-26-16-25-38(32-39)45(36-22-9-4-10-23-36)44(34-18-5-2-6-19-34)35-20-7-3-8-21-35/h2-32H,1H3.
What are the key properties of 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene?
9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene has a molecular weight of 598.79 g/mol, XLogP of 12.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene is sourced from PubChem (CID 158189898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).