9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum

C43H29N6Pt-3 — CID 153285157

About 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum

9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum (PubChem CID 153285157) has the molecular formula C43H29N6Pt-3 and a molecular weight of 824.83 g/mol. Its IUPAC name is 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum.

Molecular Properties

• Compound Name: 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum
• PubChem CID: 153285157
• Molecular Formula: C43H29N6Pt-3
• Molecular Weight: 824.83 g/mol
• Exact Mass: 824.21
• IUPAC Name: 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(-n3c4[c-]c(-c5nc6ccccc6n5C)ccc4c4cc(-c5ccc6ccccc6c5)cnc43)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C43H29N6.Pt/c1-46-27-48(40-17-8-7-16-39(40)46)33-12-9-13-34(25-33)49-41-24-31(42-45-37-14-5-6-15-38(37)47(42)2)20-21-35(41)36-23-32(26-44-43(36)49)30-19-18-28-10-3-4-11-29(28)22-30;/h3-23,26-27H,1-2H3;/q-3
• InChIKey: KYLYBUQNGDWHJZ-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 42.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.83
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum?

The IUPAC name of 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum (CID 153285157) is 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum.

What is the SMILES notation for 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum?

The canonical SMILES for 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum is CN1[CH-]N(c2[c-]c(-n3c4[c-]c(-c5nc6ccccc6n5C)ccc4c4cc(-c5ccc6ccccc6c5)cnc43)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum?

The InChIKey is KYLYBUQNGDWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N6.Pt/c1-46-27-48(40-17-8-7-16-39(40)46)33-12-9-13-34(25-33)49-41-24-31(42-45-37-14-5-6-15-38(37)47(42)2)20-21-35(41)36-23-32(26-44-43(36)49)30-19-18-28-10-3-4-11-29(28)22-30;/h3-23,26-27H,1-2H3;/q-3;.

What are the key properties of 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum?

9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum has a molecular weight of 824.83 g/mol, XLogP of 9.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-7-(1-methylbenzimidazol-2-yl)-3-naphthalen-2-yl-8H-pyrido[2,3-b]indol-8-ide;platinum is sourced from PubChem (CID 153285157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).