9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)

C40H27N5Pt — CID 153285264

About 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)

9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153285264) has the molecular formula C40H27N5Pt and a molecular weight of 772.77 g/mol. Its IUPAC name is 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153285264
• Molecular Formula: C40H27N5Pt
• Molecular Weight: 772.77 g/mol
• Exact Mass: 772.19
• IUPAC Name: 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(-n3c4[c-]c(-c5nc6c(-c7ccccc7)cccc6n5C)ccc4c4ccccc43)ccc2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C40H27N5.Pt/c1-43-35-20-9-7-18-33(35)41-39(43)27-14-10-15-29(24-27)45-34-19-8-6-16-31(34)32-23-22-28(25-37(32)45)40-42-38-30(26-12-4-3-5-13-26)17-11-21-36(38)44(40)2;/h3-23H,1-2H3;/q-2;+2
• InChIKey: SAYKMAMOFAPKCJ-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.77
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153285264) is 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+) is Cn1c(-c2[c-]c(-n3c4[c-]c(-c5nc6c(-c7ccccc7)cccc6n5C)ccc4c4ccccc43)ccc2)nc2ccccc21.[Pt+2].

What is the InChIKey of 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is SAYKMAMOFAPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5.Pt/c1-43-35-20-9-7-18-33(35)41-39(43)27-14-10-15-29(24-27)45-34-19-8-6-16-31(34)32-23-22-28(25-37(32)45)40-42-38-30(26-12-4-3-5-13-26)17-11-21-36(38)44(40)2;/h3-23H,1-2H3;/q-2;+2.

What are the key properties of 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+)?

9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 772.77 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-2-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153285264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).