1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene

C27H22 — CID 101427630

IUPAC1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
SMILESC/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22/c1-21(23-16-18-27(19-17-23)25-10-6-3-7-11-25)20-22-12-14-26(15-13-22)24-8-4-2-5-9-24/h2-20H,1H3/b21-20+
InChIKeyPOHMMWWIQQKORG-QZQOTICOSA-N
MW346.47 g/mol
LogP7.58
Rot. Bonds4

About 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene

1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene (PubChem CID 101427630) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
PubChem CID101427630
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
SMILESC/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22/c1-21(23-16-18-27(19-17-23)25-10-6-3-7-11-25)20-22-12-14-26(15-13-22)24-8-4-2-5-9-24/h2-20H,1H3/b21-20+
InChIKeyPOHMMWWIQQKORG-QZQOTICOSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.58
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

1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
4-(2-phenylprop-1-enyl)phenol
CID 54547938
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
CID 14906848
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
(E)-3-methyl-4-(4-phenylphenyl)but-3-en-2-one
CID 6040789
(Z)-3-(4-phenylphenyl)but-2-enal
CID 20528564
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene?
The IUPAC name of 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene (CID 101427630) is 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene is C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene?
The InChIKey is POHMMWWIQQKORG-QZQOTICOSA-N. The full InChI is InChI=1S/C27H22/c1-21(23-16-18-27(19-17-23)25-10-6-3-7-11-25)20-22-12-14-26(15-13-22)24-8-4-2-5-9-24/h2-20H,1H3/b21-20+.
What are the key properties of 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene?
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene has a molecular weight of 346.47 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene is sourced from PubChem (CID 101427630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).