1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole

C26H27N — CID 156599723

IUPAC1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole
SMILESCc1ccc(C(C)(CCn2ccc3ccccc32)Cc2ccccc2)cc1
InChIInChI=1S/C26H27N/c1-21-12-14-24(15-13-21)26(2,20-22-8-4-3-5-9-22)17-19-27-18-16-23-10-6-7-11-25(23)27/h3-16,18H,17,19-20H2,1-2H3
InChIKeyWQFNMQRUULLPEM-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.54
Rot. Bonds6

About 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole

1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole (PubChem CID 156599723) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole.

Molecular Properties

Compound Name1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole
PubChem CID156599723
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole
SMILESCc1ccc(C(C)(CCn2ccc3ccccc32)Cc2ccccc2)cc1
InChIInChI=1S/C26H27N/c1-21-12-14-24(15-13-21)26(2,20-22-8-4-3-5-9-22)17-19-27-18-16-23-10-6-7-11-25(23)27/h3-16,18H,17,19-20H2,1-2H3
InChIKeyWQFNMQRUULLPEM-UHFFFAOYSA-N
XLogP6.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole?
The IUPAC name of 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole (CID 156599723) is 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole.
What is the SMILES notation for 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole?
The canonical SMILES for 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole is Cc1ccc(C(C)(CCn2ccc3ccccc32)Cc2ccccc2)cc1.
What is the InChIKey of 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole?
The InChIKey is WQFNMQRUULLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-21-12-14-24(15-13-21)26(2,20-22-8-4-3-5-9-22)17-19-27-18-16-23-10-6-7-11-25(23)27/h3-16,18H,17,19-20H2,1-2H3.
What are the key properties of 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole?
1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole has a molecular weight of 353.51 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-(4-methylphenyl)-4-phenylbutyl]indole is sourced from PubChem (CID 156599723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).