3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

C62H48N2 — CID 121322768

IUPAC3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESCc1cc(N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)ccc1-c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)cc1C
InChIInChI=1S/C62H48N2/c1-45-41-55(63(53-31-19-29-51(43-53)47-21-7-3-8-22-47)61-35-17-15-33-59(61)49-25-11-5-12-26-49)37-39-57(45)58-40-38-56(42-46(58)2)64(54-32-20-30-52(44-54)48-23-9-4-10-24-48)62-36-18-16-34-60(62)50-27-13-6-14-28-50/h3-44H,1-2H3
InChIKeySYHOGZZRDXYFKF-UHFFFAOYSA-N
MW821.08 g/mol
LogP17.58
Rot. Bonds11

About 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (PubChem CID 121322768) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
PubChem CID121322768
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC Name3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESCc1cc(N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)ccc1-c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)cc1C
InChIInChI=1S/C62H48N2/c1-45-41-55(63(53-31-19-29-51(43-53)47-21-7-3-8-22-47)61-35-17-15-33-59(61)49-25-11-5-12-26-49)37-39-57(45)58-40-38-56(42-46(58)2)64(54-32-20-30-52(44-54)48-23-9-4-10-24-48)62-36-18-16-34-60(62)50-27-13-6-14-28-50/h3-44H,1-2H3
InChIKeySYHOGZZRDXYFKF-UHFFFAOYSA-N
XLogP17.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-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

3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-3-phenylanilino)phenyl]-N-(2-methylphenyl)-N-(3-phenylphenyl)aniline
CID 121322775
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The IUPAC name of 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (CID 121322768) is 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is Cc1cc(N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)ccc1-c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)cc1C.
What is the InChIKey of 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The InChIKey is SYHOGZZRDXYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-45-41-55(63(53-31-19-29-51(43-53)47-21-7-3-8-22-47)61-35-17-15-33-59(61)49-25-11-5-12-26-49)37-39-57(45)58-40-38-56(42-46(58)2)64(54-32-20-30-52(44-54)48-23-9-4-10-24-48)62-36-18-16-34-60(62)50-27-13-6-14-28-50/h3-44H,1-2H3.
What are the key properties of 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline has a molecular weight of 821.08 g/mol, XLogP of 17.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 121322768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).