3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole

C24H21N — CID 102428892

IUPAC3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
SMILESCc1ccc2c([C@H](/C=C/c3ccccc3)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C24H21N/c1-18-12-14-22-23(17-25-24(22)16-18)21(20-10-6-3-7-11-20)15-13-19-8-4-2-5-9-19/h2-17,21,25H,1H3/b15-13+/t21-/m1/s1
InChIKeyQSGJIWAKOKHIOW-UACNQURRSA-N
MW323.44 g/mol
LogP6.32
Rot. Bonds4

About 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole

3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole (PubChem CID 102428892) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole.

Molecular Properties

Compound Name3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
PubChem CID102428892
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
SMILESCc1ccc2c([C@H](/C=C/c3ccccc3)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C24H21N/c1-18-12-14-22-23(17-25-24(22)16-18)21(20-10-6-3-7-11-20)15-13-19-8-4-2-5-9-19/h2-17,21,25H,1H3/b15-13+/t21-/m1/s1
InChIKeyQSGJIWAKOKHIOW-UACNQURRSA-N
XLogP6.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 177440064
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
6-nitro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373985
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
CID 71519294
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
CID 90302343

Frequently Asked Questions

What is the IUPAC name of 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole?
The IUPAC name of 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole (CID 102428892) is 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole.
What is the SMILES notation for 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole?
The canonical SMILES for 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole is Cc1ccc2c([C@H](/C=C/c3ccccc3)c3ccccc3)c[nH]c2c1.
What is the InChIKey of 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole?
The InChIKey is QSGJIWAKOKHIOW-UACNQURRSA-N. The full InChI is InChI=1S/C24H21N/c1-18-12-14-22-23(17-25-24(22)16-18)21(20-10-6-3-7-11-20)15-13-19-8-4-2-5-9-19/h2-17,21,25H,1H3/b15-13+/t21-/m1/s1.
What are the key properties of 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole?
3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole has a molecular weight of 323.44 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole is sourced from PubChem (CID 102428892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).