1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine

C27H25N3O — CID 88873272

IUPAC1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(C)c3ccc(N=O)cc3)cc2)cc1
InChIInChI=1S/C27H25N3O/c1-20-4-10-25(11-5-20)30(26-12-6-21(2)7-13-26)27-18-16-24(17-19-27)29(3)23-14-8-22(28-31)9-15-23/h4-19H,1-3H3
InChIKeyBSKFLRFXMBLYIJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP7.94
Rot. Bonds6

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

1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine (PubChem CID 88873272) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine
PubChem CID88873272
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(C)c3ccc(N=O)cc3)cc2)cc1
InChIInChI=1S/C27H25N3O/c1-20-4-10-25(11-5-20)30(26-12-6-21(2)7-13-26)27-18-16-24(17-19-27)29(3)23-14-8-22(28-31)9-15-23/h4-19H,1-3H3
InChIKeyBSKFLRFXMBLYIJ-UHFFFAOYSA-N
XLogP7.94
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine
CID 174952140
N-(4-nitrosophenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176915624
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 88873176
4-(N-[4-(N,4-dimethylanilino)phenyl]-4-methylanilino)benzenesulfonic acid
CID 59222690
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene
CID 174243858
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine (CID 88873272) is 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(C)c3ccc(N=O)cc3)cc2)cc1.
What is the InChIKey of 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine?
The InChIKey is BSKFLRFXMBLYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-20-4-10-25(11-5-20)30(26-12-6-21(2)7-13-26)27-18-16-24(17-19-27)29(3)23-14-8-22(28-31)9-15-23/h4-19H,1-3H3.
What are the key properties of 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine?
1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine has a molecular weight of 407.52 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine is sourced from PubChem (CID 88873272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).