5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile

C173H143N39OS5 — CID 158648344

About 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile

5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile (PubChem CID 158648344) has the molecular formula C173H143N39OS5 and a molecular weight of 2944.65 g/mol. Its IUPAC name is 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile
• PubChem CID: 158648344
• Molecular Formula: C173H143N39OS5
• Molecular Weight: 2944.65 g/mol
• Exact Mass: 2942.09
• IUPAC Name: 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile
• SMILES: CC(=O)Nc1ccc(-c2nc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)sc2/N=N/c2ccc3c(C)cc(C)cc3c2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3nc(-c4ccc5ccccc5c4)c(/N=N/c4cc(C)c5cc(C)cc(C)c5c4)s3)c(C)c2C#N)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3nc(-c4cccnc4)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(-c4nccs4)c3C#N)c(C)c2C#N)cc1
• InChI: InChI=1S/C47H39N9S.C44H38N10OS.C41H32N10S2.C41H34N10S/c1-27-11-17-36(18-12-27)49-44-41(26-48)32(6)42(45(52-44)50-37-19-13-28(2)14-20-37)54-56-47-51-43(35-16-15-33-9-7-8-10-34(33)24-35)46(57-47)55-53-38-23-31(5)39-22-29(3)21-30(4)40(39)25-38;1-25-7-13-34(14-8-25)47-41-38(24-45)29(5)39(42(50-41)48-35-15-9-26(2)10-16-35)52-54-44-49-40(31-11-17-33(18-12-31)46-30(6)55)43(56-44)53-51-36-19-20-37-28(4)21-27(3)22-32(37)23-36;1-23-9-13-28(14-10-23)45-37-33(21-42)27(5)36(38(47-37)46-29-15-11-24(2)12-16-29)49-50-39-34(22-43)35(40-44-17-18-52-40)41(53-39)51-48-30-19-26(4)31-8-6-7-25(3)32(31)20-30;1-24-11-15-30(16-12-24)44-38-35(22-42)28(5)36(39(47-38)45-31-17-13-25(2)14-18-31)49-51-41-46-37(29-9-7-19-43-23-29)40(52-41)50-48-32-20-27(4)33-10-6-8-26(3)34(33)21-32/h7-25H,1-6H3,(H2,49,50,52);7-23H,1-6H3,(H,46,55)(H2,47,48,50);6-20H,1-5H3,(H2,45,46,47);6-21,23H,1-5H3,(H2,44,45,47)/b55-53+,56-54+;53-51+,54-52+;50-49+,51-48+;50-48+,51-49+
• InChIKey: IBGACVUTZJJXNR-HIIUANBYSA-N
• XLogP: 53.11
• TPSA: 558.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 37
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2944.65
LogP ≤ 5	53.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

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-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile?

The IUPAC name of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile (CID 158648344) is 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile is CC(=O)Nc1ccc(-c2nc(/N=N/c3c(Nc4ccc(C)cc4)nc(Nc4ccc(C)cc4)c(C#N)c3C)sc2/N=N/c2ccc3c(C)cc(C)cc3c2)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3nc(-c4ccc5ccccc5c4)c(/N=N/c4cc(C)c5cc(C)cc(C)c5c4)s3)c(C)c2C#N)cc1.Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(/N=N/c3nc(-c4cccnc4)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(-c4nccs4)c3C#N)c(C)c2C#N)cc1.

What is the InChIKey of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile?

The InChIKey is IBGACVUTZJJXNR-HIIUANBYSA-N. The full InChI is InChI=1S/C47H39N9S.C44H38N10OS.C41H32N10S2.C41H34N10S/c1-27-11-17-36(18-12-27)49-44-41(26-48)32(6)42(45(52-44)50-37-19-13-28(2)14-20-37)54-56-47-51-43(35-16-15-33-9-7-8-10-34(33)24-35)46(57-47)55-53-38-23-31(5)39-22-29(3)21-30(4)40(39)25-38;1-25-7-13-34(14-8-25)47-41-38(24-45)29(5)39(42(50-41)48-35-15-9-26(2)10-16-35)52-54-44-49-40(31-11-17-33(18-12-31)46-30(6)55)43(56-44)53-51-36-19-20-37-28(4)21-27(3)22-32(37)23-36;1-23-9-13-28(14-10-23)45-37-33(21-42)27(5)36(38(47-37)46-29-15-11-24(2)12-16-29)49-50-39-34(22-43)35(40-44-17-18-52-40)41(53-39)51-48-30-19-26(4)31-8-6-7-25(3)32(31)20-30;1-24-11-15-30(16-12-24)44-38-35(22-42)28(5)36(39(47-38)45-31-17-13-25(2)14-18-31)49-51-41-46-37(29-9-7-19-43-23-29)40(52-41)50-48-32-20-27(4)33-10-6-8-26(3)34(33)21-32/h7-25H,1-6H3,(H2,49,50,52);7-23H,1-6H3,(H,46,55)(H2,47,48,50);6-20H,1-5H3,(H2,45,46,47);6-21,23H,1-5H3,(H2,44,45,47)/b55-53+,56-54+;53-51+,54-52+;50-49+,51-48+;50-48+,51-49+.

What are the key properties of 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile?

5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile has a molecular weight of 2944.65 g/mol, XLogP of 53.11, 37 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-cyano-5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-(1,3-thiazol-2-yl)thiophen-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;N-[4-[2-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]diazenyl]-5-[(5,7-dimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-4-yl]phenyl]acetamide;5-[[5-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]diazenyl]-4-methyl-2,6-bis(4-methylanilino)pyridine-3-carbonitrile;4-methyl-2,6-bis(4-methylanilino)-5-[[4-naphthalen-2-yl-5-[(4,6,8-trimethylnaphthalen-2-yl)diazenyl]-1,3-thiazol-2-yl]diazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 158648344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).