6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole

C25H23N — CID 145465105

IUPAC6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole
SMILESC/C(=C/Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)c1ccccc1C
InChIInChI=1S/C25H23N/c1-18-5-3-4-6-24(18)19(2)7-8-20-9-11-21(12-10-20)23-14-13-22-15-16-26-25(22)17-23/h3-7,9-17,26H,8H2,1-2H3/b19-7-
InChIKeyVBIZGVVHFHBTJH-GXHLCREISA-N
MW337.47 g/mol
LogP6.79
Rot. Bonds4

About 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole

6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole (PubChem CID 145465105) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole.

Molecular Properties

Compound Name6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole
PubChem CID145465105
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole
SMILESC/C(=C/Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)c1ccccc1C
InChIInChI=1S/C25H23N/c1-18-5-3-4-6-24(18)19(2)7-8-20-9-11-21(12-10-20)23-14-13-22-15-16-26-25(22)17-23/h3-7,9-17,26H,8H2,1-2H3/b19-7-
InChIKeyVBIZGVVHFHBTJH-GXHLCREISA-N
XLogP6.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole?
The IUPAC name of 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole (CID 145465105) is 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole.
What is the SMILES notation for 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole?
The canonical SMILES for 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole is C/C(=C/Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)c1ccccc1C.
What is the InChIKey of 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole?
The InChIKey is VBIZGVVHFHBTJH-GXHLCREISA-N. The full InChI is InChI=1S/C25H23N/c1-18-5-3-4-6-24(18)19(2)7-8-20-9-11-21(12-10-20)23-14-13-22-15-16-26-25(22)17-23/h3-7,9-17,26H,8H2,1-2H3/b19-7-.
What are the key properties of 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole?
6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole has a molecular weight of 337.47 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole is sourced from PubChem (CID 145465105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).