4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline

C40H32N2 — CID 90215964

IUPAC4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc(-n2ccc3ccccc32)cc1C
InChIInChI=1S/C40H32N2/c1-29-27-36(41-26-25-33-13-9-10-16-40(33)41)21-23-38(29)39-24-22-37(28-30(39)2)42(34-14-7-4-8-15-34)35-19-17-32(18-20-35)31-11-5-3-6-12-31/h3-28H,1-2H3
InChIKeyWRYAEGLBWHMQRG-UHFFFAOYSA-N
MW540.71 g/mol
LogP11.05
Rot. Bonds6

About 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline

4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90215964) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90215964
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc(-n2ccc3ccccc32)cc1C
InChIInChI=1S/C40H32N2/c1-29-27-36(41-26-25-33-13-9-10-16-40(33)41)21-23-38(29)39-24-22-37(28-30(39)2)42(34-14-7-4-8-15-34)35-19-17-32(18-20-35)31-11-5-3-6-12-31/h3-28H,1-2H3
InChIKeyWRYAEGLBWHMQRG-UHFFFAOYSA-N
XLogP11.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
CID 145407645
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
CID 71100769
N-[3-methyl-4-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-5-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 58121806
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]aniline;3-methyl-4-[10-[2-methyl-4-(N-phenylanilino)phenyl]-2,6-dinaphthalen-1-ylanthracen-9-yl]-N,N-diphenylaniline
CID 157342291
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 118601869

Frequently Asked Questions

What is the IUPAC name of 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline (CID 90215964) is 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline is Cc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc(-n2ccc3ccccc32)cc1C.
What is the InChIKey of 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WRYAEGLBWHMQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-29-27-36(41-26-25-33-13-9-10-16-40(33)41)21-23-38(29)39-24-22-37(28-30(39)2)42(34-14-7-4-8-15-34)35-19-17-32(18-20-35)31-11-5-3-6-12-31/h3-28H,1-2H3.
What are the key properties of 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 540.71 g/mol, XLogP of 11.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90215964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).