7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)

C53H39N5Pt — CID 176643103

About 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)

7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643103) has the molecular formula C53H39N5Pt and a molecular weight of 941.01 g/mol. Its IUPAC name is 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643103
• Molecular Formula: C53H39N5Pt
• Molecular Weight: 941.01 g/mol
• Exact Mass: 940.29
• IUPAC Name: 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(C)(C)C)cc32)c1.[Pt+2]
• InChI: InChI=1S/C53H39N5.Pt/c1-33-27-28-54-49(29-33)58-47-30-35(25-26-39(47)43-31-42(34-15-7-5-8-16-34)44(32-48(43)58)53(2,3)4)37-20-14-24-46-51(37)56-52(57(46)36-17-9-6-10-18-36)41-22-13-21-40-38-19-11-12-23-45(38)55-50(40)41;/h5-29,31-32H,1-4H3;/q-2;+2
• InChIKey: YSRFRGFFECVHAO-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.01
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) (CID 176643103) is 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(C)(C)C)cc32)c1.[Pt+2].

What is the InChIKey of 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YSRFRGFFECVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N5.Pt/c1-33-27-28-54-49(29-33)58-47-30-35(25-26-39(47)43-31-42(34-15-7-5-8-16-34)44(32-48(43)58)53(2,3)4)37-20-14-24-46-51(37)56-52(57(46)36-17-9-6-10-18-36)41-22-13-21-40-38-19-11-12-23-45(38)55-50(40)41;/h5-29,31-32H,1-4H3;/q-2;+2.

What are the key properties of 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 941.01 g/mol, XLogP of 13.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).