1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene

C45H33Br — CID 144639801

IUPAC1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene
SMILESCc1ccccc1-c1ccc(-c2cccc(-c3ccc(Br)cc3)c2)cc1/C=C\c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C45H33Br/c1-32-11-8-9-18-44(32)45-26-23-39(38-17-10-16-37(29-38)36-21-24-43(46)25-22-36)30-40(45)20-19-33-27-41(34-12-4-2-5-13-34)31-42(28-33)35-14-6-3-7-15-35/h2-31H,1H3/b20-19-
InChIKeyBZZLMZUGXOBFCR-VXPUYCOJSA-N
MW653.66 g/mol
LogP13.26
Rot. Bonds7

About 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene

1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene (PubChem CID 144639801) has the molecular formula C45H33Br and a molecular weight of 653.66 g/mol. Its IUPAC name is 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene
PubChem CID144639801
Molecular FormulaC45H33Br
Molecular Weight653.66 g/mol
Exact Mass652.18
IUPAC Name1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene
SMILESCc1ccccc1-c1ccc(-c2cccc(-c3ccc(Br)cc3)c2)cc1/C=C\c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C45H33Br/c1-32-11-8-9-18-44(32)45-26-23-39(38-17-10-16-37(29-38)36-21-24-43(46)25-22-36)30-40(45)20-19-33-27-41(34-12-4-2-5-13-34)31-42(28-33)35-14-6-3-7-15-35/h2-31H,1H3/b20-19-
InChIKeyBZZLMZUGXOBFCR-VXPUYCOJSA-N
XLogP13.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.66
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran
CID 144639842
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-[3,5-bis[3-[(E)-2-(4-methylphenyl)ethenyl]azulen-1-yl]phenyl]-3-[(E)-2-(4-methylphenyl)ethenyl]azulene
CID 101271450
1,2-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(2-methylphenyl)phenyl]benzene;1,4-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(4-methylphenyl)phenyl]-5-phenylbenzene;1,4-bis[3-(4-methylphenyl)phenyl]-2-phenylbenzene;1,2-dimethyl-4,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 158504879
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1,4-dimethyl-2,5-bis(2-methylphenyl)benzene;1-methyl-3,5-diphenylbenzene;toluene
CID 144920257
2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59801175

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene?
The IUPAC name of 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene (CID 144639801) is 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene.
What is the SMILES notation for 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene?
The canonical SMILES for 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene is Cc1ccccc1-c1ccc(-c2cccc(-c3ccc(Br)cc3)c2)cc1/C=C\c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene?
The InChIKey is BZZLMZUGXOBFCR-VXPUYCOJSA-N. The full InChI is InChI=1S/C45H33Br/c1-32-11-8-9-18-44(32)45-26-23-39(38-17-10-16-37(29-38)36-21-24-43(46)25-22-36)30-40(45)20-19-33-27-41(34-12-4-2-5-13-34)31-42(28-33)35-14-6-3-7-15-35/h2-31H,1H3/b20-19-.
What are the key properties of 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene?
1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene has a molecular weight of 653.66 g/mol, XLogP of 13.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene is sourced from PubChem (CID 144639801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).