3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine

C23H22N2 — CID 170271317

IUPAC3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine
SMILESCc1cccc(Nc2cccc3c2N=C(c2ccccc2)C3(C)C)c1
InChIInChI=1S/C23H22N2/c1-16-9-7-12-18(15-16)24-20-14-8-13-19-21(20)25-22(23(19,2)3)17-10-5-4-6-11-17/h4-15,24H,1-3H3
InChIKeyUVZKOTRVHPNBHV-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.15
Rot. Bonds3

About 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine

3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine (PubChem CID 170271317) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine
PubChem CID170271317
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine
SMILESCc1cccc(Nc2cccc3c2N=C(c2ccccc2)C3(C)C)c1
InChIInChI=1S/C23H22N2/c1-16-9-7-12-18(15-16)24-20-14-8-13-19-21(20)25-22(23(19,2)3)17-10-5-4-6-11-17/h4-15,24H,1-3H3
InChIKeyUVZKOTRVHPNBHV-UHFFFAOYSA-N
XLogP6.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine?
The IUPAC name of 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine (CID 170271317) is 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine?
The canonical SMILES for 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine is Cc1cccc(Nc2cccc3c2N=C(c2ccccc2)C3(C)C)c1.
What is the InChIKey of 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine?
The InChIKey is UVZKOTRVHPNBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-16-9-7-12-18(15-16)24-20-14-8-13-19-21(20)25-22(23(19,2)3)17-10-5-4-6-11-17/h4-15,24H,1-3H3.
What are the key properties of 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine?
3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine has a molecular weight of 326.44 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methylphenyl)-2-phenylindol-7-amine is sourced from PubChem (CID 170271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).