1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine

C27H26N2 — CID 59431689

IUPAC1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H26N2/c1-21-9-13-23(14-10-21)28(3)24-17-19-27(20-18-24)29(25-7-5-4-6-8-25)26-15-11-22(2)12-16-26/h4-20H,1-3H3
InChIKeyANWKOCNJYHWVCL-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.54
Rot. Bonds5

About 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine

1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 59431689) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
PubChem CID59431689
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H26N2/c1-21-9-13-23(14-10-21)28(3)24-17-19-27(20-18-24)29(25-7-5-4-6-8-25)26-15-11-22(2)12-16-26/h4-20H,1-3H3
InChIKeyANWKOCNJYHWVCL-UHFFFAOYSA-N
XLogP7.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593164
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine (CID 59431689) is 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine is Cc1ccc(N(C)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is ANWKOCNJYHWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-21-9-13-23(14-10-21)28(3)24-17-19-27(20-18-24)29(25-7-5-4-6-8-25)26-15-11-22(2)12-16-26/h4-20H,1-3H3.
What are the key properties of 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 378.52 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 59431689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).