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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide

C126H79N15OPt4S6 — CID 157439336

About 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide

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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide (PubChem CID 157439336) has the molecular formula C126H79N15OPt4S6 and a molecular weight of 2791.84 g/mol. Its IUPAC name is 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide.

Molecular Properties

• Compound Name: 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide
• PubChem CID: 157439336
• Molecular Formula: C126H79N15OPt4S6
• Molecular Weight: 2791.84 g/mol
• Exact Mass: 2789.35
• IUPAC Name: 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide
• SMILES: 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.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c3c(-c4ccccn4)cccc3cc2c2ccccc21
• InChI: InChI=1S/C35H22N4OS.C32H19N3.C30H22N4S2.C29H16N4S3.4Pt/c1-38-30-16-6-5-15-29(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;1-2-16-31-26(12-1)28-20-22-9-8-13-25(30-15-4-6-18-34-30)27(22)21-32(28)35(31)24-11-7-10-23(19-24)29-14-3-5-17-33-29;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;;;;/h2-19,22H,1H3;1-18,20H;3-9,12-15,18H,10-11H2,1-2H3;2-8,11-16H,1H3;;;;/q4*-2;4*+2
• InChIKey: OZAYNIBYVIAGDQ-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 147.39 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.84
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide?

The IUPAC name of 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide (CID 157439336) is 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide.

What is the SMILES notation for 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide?

The canonical SMILES for 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide is 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.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c3c(-c4ccccn4)cccc3cc2c2ccccc21.

What is the InChIKey of 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide?

The InChIKey is OZAYNIBYVIAGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4OS.C32H19N3.C30H22N4S2.C29H16N4S3.4Pt/c1-38-30-16-6-5-15-29(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;1-2-16-31-26(12-1)28-20-22-9-8-13-25(30-15-4-6-18-34-30)27(22)21-32(28)35(31)24-11-7-10-23(19-24)29-14-3-5-17-33-29;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;;;;/h2-19,22H,1H3;1-18,20H;3-9,12-15,18H,10-11H2,1-2H3;2-8,11-16H,1H3;;;;/q4*-2;4*+2.

What are the key properties of 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide?

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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide has a molecular weight of 2791.84 g/mol, XLogP of 33.32, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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;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;tetrakis(platinum(2+));7-pyridin-2-yl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)-6H-benzo[b]carbazol-6-ide is sourced from PubChem (CID 157439336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).