3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline

C46H40N2 — CID 67071863

IUPAC3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C46H40N2/c1-33-15-23-39(24-16-33)47(40-25-17-34(2)18-26-40)43-11-7-9-37(31-43)45-13-5-6-14-46(45)38-10-8-12-44(32-38)48(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42/h5-32H,1-4H3
InChIKeyAKRJLGXYUSFQFE-UHFFFAOYSA-N
MW620.84 g/mol
LogP13.19
Rot. Bonds8

About 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline

3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 67071863) has the molecular formula C46H40N2 and a molecular weight of 620.84 g/mol. Its IUPAC name is 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID67071863
Molecular FormulaC46H40N2
Molecular Weight620.84 g/mol
Exact Mass620.32
IUPAC Name3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C46H40N2/c1-33-15-23-39(24-16-33)47(40-25-17-34(2)18-26-40)43-11-7-9-37(31-43)45-13-5-6-14-46(45)38-10-8-12-44(32-38)48(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42/h5-32H,1-4H3
InChIKeyAKRJLGXYUSFQFE-UHFFFAOYSA-N
XLogP13.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
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-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
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
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
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 57041679
3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 118448588
3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline
CID 167083588

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline (CID 67071863) is 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1.
What is the InChIKey of 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is AKRJLGXYUSFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2/c1-33-15-23-39(24-16-33)47(40-25-17-34(2)18-26-40)43-11-7-9-37(31-43)45-13-5-6-14-46(45)38-10-8-12-44(32-38)48(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42/h5-32H,1-4H3.
What are the key properties of 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline?
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 620.84 g/mol, XLogP of 13.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 67071863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).