3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine

C46H46ClN9 — CID 162147029

IUPAC3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
SMILESCc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2/N=N/c2ccc(Cl)cc2)c1.Cc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N)c1
InChIInChI=1S/C26H24ClN5.C20H22N4/c1-17-6-5-9-19(14-17)22(15-18-7-3-2-4-8-18)23-16-24(28)30-26(29)25(23)32-31-21-12-10-20(27)11-13-21;1-13-6-5-9-15(10-13)16(11-14-7-3-2-4-8-14)17-12-18(21)24-20(23)19(17)22/h2-14,16,22H,15H2,1H3,(H4,28,29,30);2-10,12,16H,11,22H2,1H3,(H4,21,23,24)/b32-31+;
InChIKeyZKRPHIHOARNVDY-MRRLHAJBSA-N
MW760.39 g/mol
LogP10.51
Rot. Bonds10

About 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine

3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine (PubChem CID 162147029) has the molecular formula C46H46ClN9 and a molecular weight of 760.39 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
PubChem CID162147029
Molecular FormulaC46H46ClN9
Molecular Weight760.39 g/mol
Exact Mass759.36
IUPAC Name3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
SMILESCc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2/N=N/c2ccc(Cl)cc2)c1.Cc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N)c1
InChIInChI=1S/C26H24ClN5.C20H22N4/c1-17-6-5-9-19(14-17)22(15-18-7-3-2-4-8-18)23-16-24(28)30-26(29)25(23)32-31-21-12-10-20(27)11-13-21;1-13-6-5-9-15(10-13)16(11-14-7-3-2-4-8-14)17-12-18(21)24-20(23)19(17)22/h2-14,16,22H,15H2,1H3,(H4,28,29,30);2-10,12,16H,11,22H2,1H3,(H4,21,23,24)/b32-31+;
InChIKeyZKRPHIHOARNVDY-MRRLHAJBSA-N
XLogP10.51
TPSA180.60 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.39
LogP ≤ 510.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

3-[[2,6-diamino-3-[(4-chlorophenyl)diazenyl]-4-pyridinyl]methyl]benzoic acid
CID 126649685
4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine
CID 145371683
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine
CID 3146194
2,4,6-tris[(3-methylphenyl)diazenyl]benzene-1,3,5-triamine
CID 71410872
7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130432010
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine
CID 145371687
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
2-amino-2-(4-chlorophenyl)-1-(3-methylphenyl)ethanol
CID 123458575
4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 155113001
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine (CID 162147029) is 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine is Cc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2/N=N/c2ccc(Cl)cc2)c1.Cc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N)c1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
The InChIKey is ZKRPHIHOARNVDY-MRRLHAJBSA-N. The full InChI is InChI=1S/C26H24ClN5.C20H22N4/c1-17-6-5-9-19(14-17)22(15-18-7-3-2-4-8-18)23-16-24(28)30-26(29)25(23)32-31-21-12-10-20(27)11-13-21;1-13-6-5-9-15(10-13)16(11-14-7-3-2-4-8-14)17-12-18(21)24-20(23)19(17)22/h2-14,16,22H,15H2,1H3,(H4,28,29,30);2-10,12,16H,11,22H2,1H3,(H4,21,23,24)/b32-31+;.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine has a molecular weight of 760.39 g/mol, XLogP of 10.51, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,6-diamine;4-[1-(3-methylphenyl)-2-phenylethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 162147029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).