tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide

C138H96N14OPS6Zn4+ — CID 157192394

About tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide

tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide (PubChem CID 157192394) has the molecular formula C138H96N14OPS6Zn4+ and a molecular weight of 2451.32 g/mol. Its IUPAC name is tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide.

Molecular Properties

• Compound Name: tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide
• PubChem CID: 157192394
• Molecular Formula: C138H96N14OPS6Zn4+
• Molecular Weight: 2451.32 g/mol
• Exact Mass: 2443.31
• IUPAC Name: tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide
• SMILES: CC(C)(c1[c-]c(N2c3[c-]c(-c4cccc5cccnc45)ccc3CCc3ccccc32)ccc1)[PH+](c1ccccc1)c1ccccc1.Cc1cc(C)n(-c2csc3sc(N(c4[c-]c5c(cc4)CCc4cccnc4-5)c4ccccc4)[c-]c23)n1.Cn1c(-c2cccc3oc(N(c4[c-]c(-c5csc6cccnc56)ccc4)c4ccccc4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c(-c6csc7scnc67)ccc5)c4[c-]c23)c1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/C44H35N2P.C35H22N4OS.C30H22N4S2.C29H16N4S3.4Zn/c1-44(2,47(38-19-5-3-6-20-38)39-21-7-4-8-22-39)36-17-12-18-37(31-36)46-41-24-10-9-14-32(41)25-26-33-27-28-35(30-42(33)46)40-23-11-15-34-16-13-29-45-43(34)40;1-38-30-16-6-5-15-29(30)37-35(38)26-14-8-17-31-27(26)21-33(40-31)39(24-11-3-2-4-12-24)25-13-7-10-23(20-25)28-22-41-32-18-9-19-36-34(28)32;1-19-15-20(2)34(32-19)27-18-35-30-26(27)17-28(36-30)33(23-8-4-3-5-9-23)24-13-12-21-10-11-22-7-6-14-31-29(22)25(21)16-24;1-32-12-24(30-15-32)23-14-34-27-11-20-19-7-2-3-8-25(19)33(26(20)10-21(23)27)18-6-4-5-17(9-18)22-13-35-29-28(22)31-16-36-29;;;;/h3-24,27-29H,25-26H2,1-2H3;2-19,22H,1H3;3-9,12-15,18H,10-11H2,1-2H3;2-8,11-16H,1H3;;;;/q4*-2;4*+2/p+1
• InChIKey: OYFKLWAKPQKXLA-UHFFFAOYSA-O
• XLogP: 35.83
• TPSA: 132.81 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.32
LogP ≤ 5	35.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide?

The IUPAC name of tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide (CID 157192394) is tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide.

What is the SMILES notation for tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide?

The canonical SMILES for tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide is CC(C)(c1[c-]c(N2c3[c-]c(-c4cccc5cccnc45)ccc3CCc3ccccc32)ccc1)[PH+](c1ccccc1)c1ccccc1.Cc1cc(C)n(-c2csc3sc(N(c4[c-]c5c(cc4)CCc4cccnc4-5)c4ccccc4)[c-]c23)n1.Cn1c(-c2cccc3oc(N(c4[c-]c(-c5csc6cccnc56)ccc4)c4ccccc4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c(-c6csc7scnc67)ccc5)c4[c-]c23)c1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].

What is the InChIKey of tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide?

The InChIKey is OYFKLWAKPQKXLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C44H35N2P.C35H22N4OS.C30H22N4S2.C29H16N4S3.4Zn/c1-44(2,47(38-19-5-3-6-20-38)39-21-7-4-8-22-39)36-17-12-18-37(31-36)46-41-24-10-9-14-32(41)25-26-33-27-28-35(30-42(33)46)40-23-11-15-34-16-13-29-45-43(34)40;1-38-30-16-6-5-15-29(30)37-35(38)26-14-8-17-31-27(26)21-33(40-31)39(24-11-3-2-4-12-24)25-13-7-10-23(20-25)28-22-41-32-18-9-19-36-34(28)32;1-19-15-20(2)34(32-19)27-18-35-30-26(27)17-28(36-30)33(23-8-4-3-5-9-23)24-13-12-21-10-11-22-7-6-14-31-29(22)25(21)16-24;1-32-12-24(30-15-32)23-14-34-27-11-20-19-7-2-3-8-25(19)33(26(20)10-21(23)27)18-6-4-5-17(9-18)22-13-35-29-28(22)31-16-36-29;;;;/h3-24,27-29H,25-26H2,1-2H3;2-19,22H,1H3;3-9,12-15,18H,10-11H2,1-2H3;2-8,11-16H,1H3;;;;/q4*-2;4*+2/p+1.

What are the key properties of tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide?

tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide has a molecular weight of 2451.32 g/mol, XLogP of 35.83, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tetrazinc;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;4-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-10H-thieno[3,2-b]carbazol-10-ide is sourced from PubChem (CID 157192394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).