cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene

C134H96Co4N18OPS6-3 — CID 157348141

About cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene

cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene (PubChem CID 157348141) has the molecular formula C134H96Co4N18OPS6-3 and a molecular weight of 2433.47 g/mol. Its IUPAC name is cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene.

Molecular Properties

• Compound Name: cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
• PubChem CID: 157348141
• Molecular Formula: C134H96Co4N18OPS6-3
• Molecular Weight: 2433.47 g/mol
• Exact Mass: 2431.34
• IUPAC Name: cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
• SMILES: CC(C)(c1cccc(N2c3[c-]c(-c4cccc5cccnc45)ccc3CCc3ccccc32)n1)[PH+](c1ccccc1)c1ccccc1.Cc1cc(C)n(-c2csc3sc(N(c4ccccc4)c4ccc5c(n4)-c4ncccc4CC5)[c-]c23)n1.Cn1c(-c2cccc3oc(N(c4ccccc4)c4cccc(-c5csc6cccnc56)n4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c(-c6csc7scnc67)ccc5)c4nc23)c1.[Co].[Co].[Co].[Co]
• InChI: InChI=1S/C43H35N3P.C34H22N5OS.C29H22N5S2.C28H16N5S3.4Co/c1-43(2,47(35-17-5-3-6-18-35)36-19-7-4-8-20-36)40-23-12-24-41(45-40)46-38-22-10-9-14-31(38)25-26-32-27-28-34(30-39(32)46)37-21-11-15-33-16-13-29-44-42(33)37;1-38-28-15-6-5-13-27(28)37-34(38)23-12-7-16-29-24(23)20-32(40-29)39(22-10-3-2-4-11-22)31-18-8-14-26(36-31)25-21-41-30-17-9-19-35-33(25)30;1-18-15-19(2)34(32-18)24-17-35-29-23(24)16-26(36-29)33(22-8-4-3-5-9-22)25-13-12-21-11-10-20-7-6-14-30-27(20)28(21)31-25;1-32-11-22(29-14-32)21-13-34-24-10-19-18-7-2-3-8-23(18)33(27(19)31-25(21)24)17-6-4-5-16(9-17)20-12-35-28-26(20)30-15-36-28;;;;/h3-24,27-29H,25-26H2,1-2H3;2-19,21H,1H3;3-9,12-15,17H,10-11H2,1-2H3;2-8,10-15H,1H3;;;;/q4*-1;;;;/p+1
• InChIKey: IXCCXADXCSFZKK-UHFFFAOYSA-O
• XLogP: 34.21
• TPSA: 184.37 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2433.47
LogP ≤ 5	34.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

The IUPAC name of cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene (CID 157348141) is cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene.

What is the SMILES notation for cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

The canonical SMILES for cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene is CC(C)(c1cccc(N2c3[c-]c(-c4cccc5cccnc45)ccc3CCc3ccccc32)n1)[PH+](c1ccccc1)c1ccccc1.Cc1cc(C)n(-c2csc3sc(N(c4ccccc4)c4ccc5c(n4)-c4ncccc4CC5)[c-]c23)n1.Cn1c(-c2cccc3oc(N(c4ccccc4)c4cccc(-c5csc6cccnc56)n4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c(-c6csc7scnc67)ccc5)c4nc23)c1.[Co].[Co].[Co].[Co].

What is the InChIKey of cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

The InChIKey is IXCCXADXCSFZKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C43H35N3P.C34H22N5OS.C29H22N5S2.C28H16N5S3.4Co/c1-43(2,47(35-17-5-3-6-18-35)36-19-7-4-8-20-36)40-23-12-24-41(45-40)46-38-22-10-9-14-31(38)25-26-32-27-28-34(30-39(32)46)37-21-11-15-33-16-13-29-44-42(33)37;1-38-28-15-6-5-13-27(28)37-34(38)23-12-7-16-29-24(23)20-32(40-29)39(22-10-3-2-4-11-22)31-18-8-14-26(36-31)25-21-41-30-17-9-19-35-33(25)30;1-18-15-19(2)34(32-18)24-17-35-29-23(24)16-26(36-29)33(22-8-4-3-5-9-22)25-13-12-21-11-10-20-7-6-14-30-27(20)28(21)31-25;1-32-11-22(29-14-32)21-13-34-24-10-19-18-7-2-3-8-23(18)33(27(19)31-25(21)24)17-6-4-5-16(9-17)20-12-35-28-26(20)30-15-36-28;;;;/h3-24,27-29H,25-26H2,1-2H3;2-19,21H,1H3;3-9,12-15,17H,10-11H2,1-2H3;2-8,10-15H,1H3;;;;/q4*-1;;;;/p+1.

What are the key properties of cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene has a molecular weight of 2433.47 g/mol, XLogP of 34.21, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene is sourced from PubChem (CID 157348141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).