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

C42H34 — CID 20758340

IUPAC4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
SMILESCc1cc(C=C(c2ccccc2)c2ccccc2)ccc1-c1ccc(C=C(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C42H34/c1-31-27-33(29-41(35-15-7-3-8-16-35)36-17-9-4-10-18-36)23-25-39(31)40-26-24-34(28-32(40)2)30-42(37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-30H,1-2H3
InChIKeyQYNREPSNOTZCBH-UHFFFAOYSA-N
MW538.73 g/mol
LogP11.15
Rot. Bonds7

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

4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene (PubChem CID 20758340) has the molecular formula C42H34 and a molecular weight of 538.73 g/mol. Its IUPAC name is 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene.

Molecular Properties

Compound Name4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
PubChem CID20758340
Molecular FormulaC42H34
Molecular Weight538.73 g/mol
Exact Mass538.27
IUPAC Name4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
SMILESCc1cc(C=C(c2ccccc2)c2ccccc2)ccc1-c1ccc(C=C(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C42H34/c1-31-27-33(29-41(35-15-7-3-8-16-35)36-17-9-4-10-18-36)23-25-39(31)40-26-24-34(28-32(40)2)30-42(37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-30H,1-2H3
InChIKeyQYNREPSNOTZCBH-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene?
The IUPAC name of 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene (CID 20758340) is 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene.
What is the SMILES notation for 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene?
The canonical SMILES for 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene is Cc1cc(C=C(c2ccccc2)c2ccccc2)ccc1-c1ccc(C=C(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene?
The InChIKey is QYNREPSNOTZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34/c1-31-27-33(29-41(35-15-7-3-8-16-35)36-17-9-4-10-18-36)23-25-39(31)40-26-24-34(28-32(40)2)30-42(37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-30H,1-2H3.
What are the key properties of 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene?
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene has a molecular weight of 538.73 g/mol, XLogP of 11.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene is sourced from PubChem (CID 20758340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).