5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile

C132H107ClN28OS3 — CID 157447388

About 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile

5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile (PubChem CID 157447388) has the molecular formula C132H107ClN28OS3 and a molecular weight of 2233.16 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile
• PubChem CID: 157447388
• Molecular Formula: C132H107ClN28OS3
• Molecular Weight: 2233.16 g/mol
• Exact Mass: 2230.80
• IUPAC Name: 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile
• SMILES: CC(=O)Nc1ccc(-c2c(/N=N/c3cc(C)c4cccc(C)c4c3)sc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)c2C#N)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3nc(-c4ccc(Cl)cc4)c(/N=N/c4cc(C)c5cccc(C)c5c4)s3)c(C)c2C#N)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3sc(/N=N/c4cc(C)c5cccc(C)c5c4)c(-c4ccccc4)c3C#N)c(C)c2C#N)cc1
• InChI: InChI=1S/C46H38N10OS.C44H35N9S.C42H34ClN9S/c1-26-10-16-34(17-11-26)50-43-39(24-47)30(5)42(44(52-43)51-35-18-12-27(2)13-19-35)54-55-45-40(25-48)41(32-14-20-33(21-15-32)49-31(6)57)46(58-45)56-53-36-22-29(4)37-9-7-8-28(3)38(37)23-36;1-26-14-18-32(19-15-26)47-41-37(24-45)30(5)40(42(49-41)48-33-20-16-27(2)17-21-33)51-52-43-38(25-46)39(31-11-7-6-8-12-31)44(54-43)53-50-34-22-29(4)35-13-9-10-28(3)36(35)23-34;1-24-9-17-31(18-10-24)45-39-36(23-44)28(5)37(40(48-39)46-32-19-11-25(2)12-20-32)50-52-42-47-38(29-13-15-30(43)16-14-29)41(53-42)51-49-33-21-27(4)34-8-6-7-26(3)35(34)22-33/h7-23H,1-6H3,(H,49,57)(H2,50,51,52);6-23H,1-5H3,(H2,47,48,49);6-22H,1-5H3,(H2,45,46,48)/b55-54+,56-53+;52-51+,53-50+;51-49+,52-50+
• InChIKey: BSJQWTUBIIEVMS-HOAXWJDMSA-N
• XLogP: 40.84
• TPSA: 420.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2233.16
LogP ≤ 5	40.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile?

The IUPAC name of 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile (CID 157447388) is 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile.

What is the SMILES notation for 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile?

The canonical SMILES for 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile is CC(=O)Nc1ccc(-c2c(/N=N/c3cc(C)c4cccc(C)c4c3)sc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)c2C#N)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3nc(-c4ccc(Cl)cc4)c(/N=N/c4cc(C)c5cccc(C)c5c4)s3)c(C)c2C#N)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3sc(/N=N/c4cc(C)c5cccc(C)c5c4)c(-c4ccccc4)c3C#N)c(C)c2C#N)cc1.

What is the InChIKey of 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile?

The InChIKey is BSJQWTUBIIEVMS-HOAXWJDMSA-N. The full InChI is InChI=1S/C46H38N10OS.C44H35N9S.C42H34ClN9S/c1-26-10-16-34(17-11-26)50-43-39(24-47)30(5)42(44(52-43)51-35-18-12-27(2)13-19-35)54-55-45-40(25-48)41(32-14-20-33(21-15-32)49-31(6)57)46(58-45)56-53-36-22-29(4)37-9-7-8-28(3)38(37)23-36;1-26-14-18-32(19-15-26)47-41-37(24-45)30(5)40(42(49-41)48-33-20-16-27(2)17-21-33)51-52-43-38(25-46)39(31-11-7-6-8-12-31)44(54-43)53-50-34-22-29(4)35-13-9-10-28(3)36(35)23-34;1-24-9-17-31(18-10-24)45-39-36(23-44)28(5)37(40(48-39)46-32-19-11-25(2)12-20-32)50-52-42-47-38(29-13-15-30(43)16-14-29)41(53-42)51-49-33-21-27(4)34-8-6-7-26(3)35(34)22-33/h7-23H,1-6H3,(H,49,57)(H2,50,51,52);6-23H,1-5H3,(H2,47,48,49);6-22H,1-5H3,(H2,45,46,48)/b55-54+,56-53+;52-51+,53-50+;51-49+,52-50+.

What are the key properties of 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile?

5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile has a molecular weight of 2233.16 g/mol, XLogP of 40.84, 28 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(4-chlorophenyl)-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]thiophen-3-yl]phenyl]acetamide;5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-phenylthiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 157447388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).