1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole

C29H23N — CID 54426716

IUPAC1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
SMILESCn1c(-c2ccc(C=Cc3ccc(-c4ccccc4)cc3)cc2)cc2ccccc21
InChIInChI=1S/C29H23N/c1-30-28-10-6-5-9-27(28)21-29(30)26-19-15-23(16-20-26)12-11-22-13-17-25(18-14-22)24-7-3-2-4-8-24/h2-21H,1H3
InChIKeyWEPVTBDAEKBMCH-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.68
Rot. Bonds4

About 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole

1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole (PubChem CID 54426716) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole.

Molecular Properties

Compound Name1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
PubChem CID54426716
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
SMILESCn1c(-c2ccc(C=Cc3ccc(-c4ccccc4)cc3)cc2)cc2ccccc21
InChIInChI=1S/C29H23N/c1-30-28-10-6-5-9-27(28)21-29(30)26-19-15-23(16-20-26)12-11-22-13-17-25(18-14-22)24-7-3-2-4-8-24/h2-21H,1H3
InChIKeyWEPVTBDAEKBMCH-UHFFFAOYSA-N
XLogP7.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
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1-methyl-2-phenylindole-5-sulfonic acid
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2-(2-bromophenyl)-1-methylindole
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2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
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1-pentyl-2-phenylindole
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1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
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1-(3-methylphenyl)-2-phenylindole
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1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole?
The IUPAC name of 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole (CID 54426716) is 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole.
What is the SMILES notation for 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole?
The canonical SMILES for 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole is Cn1c(-c2ccc(C=Cc3ccc(-c4ccccc4)cc3)cc2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole?
The InChIKey is WEPVTBDAEKBMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-30-28-10-6-5-9-27(28)21-29(30)26-19-15-23(16-20-26)12-11-22-13-17-25(18-14-22)24-7-3-2-4-8-24/h2-21H,1H3.
What are the key properties of 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole?
1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole has a molecular weight of 385.51 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole is sourced from PubChem (CID 54426716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).