2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C56H45N5Pt — CID 176642905

About 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642905) has the molecular formula C56H45N5Pt and a molecular weight of 983.09 g/mol. Its IUPAC name is 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642905
• Molecular Formula: C56H45N5Pt
• Molecular Weight: 983.09 g/mol
• Exact Mass: 982.33
• IUPAC Name: 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccc2c(c1)[n-]c1c(-c3nc4c(-c5[c-]c6c(cc5)c5cc(C(C)(C)c7ccccc7)ccc5n6-c5ccccn5)cccc4n3-c3ccccc3)cc(C(C)(C)C)cc12.[Pt+2]
• InChI: InChI=1S/C56H45N5.Pt/c1-35-23-26-42-45-33-39(55(2,3)4)34-46(52(45)58-47(42)30-35)54-59-53-41(20-15-21-49(53)60(54)40-18-11-8-12-19-40)36-24-27-43-44-32-38(56(5,6)37-16-9-7-10-17-37)25-28-48(44)61(50(43)31-36)51-22-13-14-29-57-51;/h7-30,32-34H,1-6H3;/q-2;+2
• InChIKey: KAOKSLJEGXLVRS-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.09
LogP ≤ 5	13.84
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 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176642905) is 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccc2c(c1)[n-]c1c(-c3nc4c(-c5[c-]c6c(cc5)c5cc(C(C)(C)c7ccccc7)ccc5n6-c5ccccn5)cccc4n3-c3ccccc3)cc(C(C)(C)C)cc12.[Pt+2].

What is the InChIKey of 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is KAOKSLJEGXLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N5.Pt/c1-35-23-26-42-45-33-39(55(2,3)4)34-46(52(45)58-47(42)30-35)54-59-53-41(20-15-21-49(53)60(54)40-18-11-8-12-19-40)36-24-27-43-44-32-38(56(5,6)37-16-9-7-10-17-37)25-28-48(44)61(50(43)31-36)51-22-13-14-29-57-51;/h7-30,32-34H,1-6H3;/q-2;+2.

What are the key properties of 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 983.09 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).