4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine

C36H38N4 — CID 90265189

IUPAC4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(C)c3ccc(N(C)c4ccc(N(C)c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H38N4/c1-27-7-11-29(12-8-27)37(3)31-15-19-33(20-16-31)39(5)35-23-25-36(26-24-35)40(6)34-21-17-32(18-22-34)38(4)30-13-9-28(2)10-14-30/h7-26H,1-6H3
InChIKeyJAIXKROYZLHNNA-UHFFFAOYSA-N
MW526.73 g/mol
LogP9.38
Rot. Bonds8

About 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine

4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 90265189) has the molecular formula C36H38N4 and a molecular weight of 526.73 g/mol. Its IUPAC name is 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
PubChem CID90265189
Molecular FormulaC36H38N4
Molecular Weight526.73 g/mol
Exact Mass526.31
IUPAC Name4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(C)c3ccc(N(C)c4ccc(N(C)c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H38N4/c1-27-7-11-29(12-8-27)37(3)31-15-19-33(20-16-31)39(5)35-23-25-36(26-24-35)40(6)34-21-17-32(18-22-34)38(4)30-13-9-28(2)10-14-30/h7-26H,1-6H3
InChIKeyJAIXKROYZLHNNA-UHFFFAOYSA-N
XLogP9.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
N-[4-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
N,2,3,4,5,6-hexamethyl-N-(4-methylphenyl)aniline
CID 134561307
N-[4-(chloromethyl)phenyl]-N,4-dimethylaniline
CID 55220939
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine (CID 90265189) is 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(N(C)c2ccc(N(C)c3ccc(N(C)c4ccc(N(C)c5ccc(C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is JAIXKROYZLHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4/c1-27-7-11-29(12-8-27)37(3)31-15-19-33(20-16-31)39(5)35-23-25-36(26-24-35)40(6)34-21-17-32(18-22-34)38(4)30-13-9-28(2)10-14-30/h7-26H,1-6H3.
What are the key properties of 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 526.73 g/mol, XLogP of 9.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 90265189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).