4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine

C33H30N4 — CID 89400085

IUPAC4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
SMILES[H]/N=N/c1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H30N4/c1-24-4-12-28(13-5-24)36(29-14-6-25(2)7-15-29)32-20-22-33(23-21-32)37(30-16-8-26(3)9-17-30)31-18-10-27(35-34)11-19-31/h4-23,34H,1-3H3/b35-34+
InChIKeyRQPCRKVFEYJQNC-XAHDOWKMSA-N
MW482.63 g/mol
LogP10.21
Rot. Bonds7

About 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine

4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine (PubChem CID 89400085) has the molecular formula C33H30N4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
PubChem CID89400085
Molecular FormulaC33H30N4
Molecular Weight482.63 g/mol
Exact Mass482.25
IUPAC Name4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
SMILES[H]/N=N/c1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H30N4/c1-24-4-12-28(13-5-24)36(29-14-6-25(2)7-15-29)32-20-22-33(23-21-32)37(30-16-8-26(3)9-17-30)31-18-10-27(35-34)11-19-31/h4-23,34H,1-3H3/b35-34+
InChIKeyRQPCRKVFEYJQNC-XAHDOWKMSA-N
XLogP10.21
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
CID 166855419
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
[4-(4-ethylphenyl)phenyl]diazene
CID 71158803
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine
CID 88873272
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine (CID 89400085) is 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine is [H]/N=N/c1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is RQPCRKVFEYJQNC-XAHDOWKMSA-N. The full InChI is InChI=1S/C33H30N4/c1-24-4-12-28(13-5-24)36(29-14-6-25(2)7-15-29)32-20-22-33(23-21-32)37(30-16-8-26(3)9-17-30)31-18-10-27(35-34)11-19-31/h4-23,34H,1-3H3/b35-34+.
What are the key properties of 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine?
4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 482.63 g/mol, XLogP of 10.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 89400085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).