2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline

C65H55N3 — CID 167255202

IUPAC2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3cccc(-c4cccc(N(c5cccc(C)c5)c5cccc(C)c5)c4)c3N(c3ccc(-c4ccccc4)cc3)c3cccc(C)c3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C65H55N3/c1-46-16-9-24-57(40-46)66(58-25-10-17-47(2)41-58)55-38-34-53(35-39-55)63-30-15-31-64(54-23-14-29-62(45-54)67(59-26-11-18-48(3)42-59)60-27-12-19-49(4)43-60)65(63)68(61-28-13-20-50(5)44-61)56-36-32-52(33-37-56)51-21-7-6-8-22-51/h6-45H,1-5H3
InChIKeyCFGIEMJOFRMGPS-UHFFFAOYSA-N
MW878.18 g/mol
LogP18.64
Rot. Bonds12

About 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline

2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167255202) has the molecular formula C65H55N3 and a molecular weight of 878.18 g/mol. Its IUPAC name is 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID167255202
Molecular FormulaC65H55N3
Molecular Weight878.18 g/mol
Exact Mass877.44
IUPAC Name2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3cccc(-c4cccc(N(c5cccc(C)c5)c5cccc(C)c5)c4)c3N(c3ccc(-c4ccccc4)cc3)c3cccc(C)c3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C65H55N3/c1-46-16-9-24-57(40-46)66(58-25-10-17-47(2)41-58)55-38-34-53(35-39-55)63-30-15-31-64(54-23-14-29-62(45-54)67(59-26-11-18-48(3)42-59)60-27-12-19-49(4)43-60)65(63)68(61-28-13-20-50(5)44-61)56-36-32-52(33-37-56)51-21-7-6-8-22-51/h6-45H,1-5H3
InChIKeyCFGIEMJOFRMGPS-UHFFFAOYSA-N
XLogP18.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.18
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-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

3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline (CID 167255202) is 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline is Cc1cccc(N(c2ccc(-c3cccc(-c4cccc(N(c5cccc(C)c5)c5cccc(C)c5)c4)c3N(c3ccc(-c4ccccc4)cc3)c3cccc(C)c3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is CFGIEMJOFRMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H55N3/c1-46-16-9-24-57(40-46)66(58-25-10-17-47(2)41-58)55-38-34-53(35-39-55)63-30-15-31-64(54-23-14-29-62(45-54)67(59-26-11-18-48(3)42-59)60-27-12-19-49(4)43-60)65(63)68(61-28-13-20-50(5)44-61)56-36-32-52(33-37-56)51-21-7-6-8-22-51/h6-45H,1-5H3.
What are the key properties of 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline?
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 878.18 g/mol, XLogP of 18.64, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167255202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).