3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline

C46H39ClN2 — CID 118448588

IUPAC3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(Cl)cc(-c4cccc(N(c5ccc(C)cc5)c5ccc(C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C46H39ClN2/c1-32-11-19-41(20-12-32)48(42-21-13-33(2)14-22-42)45-9-5-7-36(30-45)38-27-39(29-40(47)28-38)37-8-6-10-46(31-37)49(43-23-15-34(3)16-24-43)44-25-17-35(4)18-26-44/h5-31H,1-4H3
InChIKeyVATBJBXDUUKIEY-UHFFFAOYSA-N
MW655.29 g/mol
LogP13.85
Rot. Bonds8

About 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline

3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 118448588) has the molecular formula C46H39ClN2 and a molecular weight of 655.29 g/mol. Its IUPAC name is 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID118448588
Molecular FormulaC46H39ClN2
Molecular Weight655.29 g/mol
Exact Mass654.28
IUPAC Name3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(Cl)cc(-c4cccc(N(c5ccc(C)cc5)c5ccc(C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C46H39ClN2/c1-32-11-19-41(20-12-32)48(42-21-13-33(2)14-22-42)45-9-5-7-36(30-45)38-27-39(29-40(47)28-38)37-8-6-10-46(31-37)49(43-23-15-34(3)16-24-43)44-25-17-35(4)18-26-44/h5-31H,1-4H3
InChIKeyVATBJBXDUUKIEY-UHFFFAOYSA-N
XLogP13.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.29
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)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

N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 121295829
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 14669996
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline (CID 118448588) is 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(Cl)cc(-c4cccc(N(c5ccc(C)cc5)c5ccc(C)cc5)c4)c3)c2)cc1.
What is the InChIKey of 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is VATBJBXDUUKIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39ClN2/c1-32-11-19-41(20-12-32)48(42-21-13-33(2)14-22-42)45-9-5-7-36(30-45)38-27-39(29-40(47)28-38)37-8-6-10-46(31-37)49(43-23-15-34(3)16-24-43)44-25-17-35(4)18-26-44/h5-31H,1-4H3.
What are the key properties of 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 655.29 g/mol, XLogP of 13.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 118448588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).