2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene

C29H24 — CID 177422540

IUPAC2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
SMILESCc1cc(/C=C/c2ccccc2)ccc1-c1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C29H24/c1-23-22-27(15-14-25-10-6-3-7-11-25)18-21-29(23)28-19-16-26(17-20-28)13-12-24-8-4-2-5-9-24/h2-22H,1H3/b13-12-,15-14+
InChIKeyYFKPCEJYRSCDHD-FSALDASDSA-N
MW372.51 g/mol
LogP8.00
Rot. Bonds5

About 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene

2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene (PubChem CID 177422540) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
PubChem CID177422540
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
SMILESCc1cc(/C=C/c2ccccc2)ccc1-c1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C29H24/c1-23-22-27(15-14-25-10-6-3-7-11-25)18-21-29(23)28-19-16-26(17-20-28)13-12-24-8-4-2-5-9-24/h2-22H,1H3/b13-12-,15-14+
InChIKeyYFKPCEJYRSCDHD-FSALDASDSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 58.00
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 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene?
The IUPAC name of 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene (CID 177422540) is 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene.
What is the SMILES notation for 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene?
The canonical SMILES for 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene is Cc1cc(/C=C/c2ccccc2)ccc1-c1ccc(/C=C\c2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene?
The InChIKey is YFKPCEJYRSCDHD-FSALDASDSA-N. The full InChI is InChI=1S/C29H24/c1-23-22-27(15-14-25-10-6-3-7-11-25)18-21-29(23)28-19-16-26(17-20-28)13-12-24-8-4-2-5-9-24/h2-22H,1H3/b13-12-,15-14+.
What are the key properties of 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene?
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene has a molecular weight of 372.51 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene is sourced from PubChem (CID 177422540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).