1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene

C43H36 — CID 154545119

IUPAC1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene
SMILESCC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2C)c(C)c1
InChIInChI=1S/C43H36/c1-31-28-34(30-42(35-16-8-4-9-17-35)36-18-10-5-11-19-36)24-26-40(31)41-27-25-39(29-32(41)2)33(3)43(37-20-12-6-13-21-37)38-22-14-7-15-23-38/h4-30H,1-3H3
InChIKeyFDLQKKAKIBPKJV-UHFFFAOYSA-N
MW552.76 g/mol
LogP11.54
Rot. Bonds7

About 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene

1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene (PubChem CID 154545119) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene
PubChem CID154545119
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene
SMILESCC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2C)c(C)c1
InChIInChI=1S/C43H36/c1-31-28-34(30-42(35-16-8-4-9-17-35)36-18-10-5-11-19-36)24-26-40(31)41-27-25-39(29-32(41)2)33(3)43(37-20-12-6-13-21-37)38-22-14-7-15-23-38/h4-30H,1-3H3
InChIKeyFDLQKKAKIBPKJV-UHFFFAOYSA-N
XLogP11.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 511.54
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

4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
2,7-bis(2,2-diphenylethenyl)fluoren-9-one
CID 86012189
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
2-(2,2-diphenylethenyl)anthracene
CID 155667641
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 173126547
CID 173126547

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene?
The IUPAC name of 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene (CID 154545119) is 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene.
What is the SMILES notation for 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene?
The canonical SMILES for 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene is CC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2C)c(C)c1.
What is the InChIKey of 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene?
The InChIKey is FDLQKKAKIBPKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-31-28-34(30-42(35-16-8-4-9-17-35)36-18-10-5-11-19-36)24-26-40(31)41-27-25-39(29-32(41)2)33(3)43(37-20-12-6-13-21-37)38-22-14-7-15-23-38/h4-30H,1-3H3.
What are the key properties of 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene?
1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene has a molecular weight of 552.76 g/mol, XLogP of 11.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene is sourced from PubChem (CID 154545119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).