7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C57H47N5Pt — CID 176642833

About 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642833) has the molecular formula C57H47N5Pt and a molecular weight of 997.12 g/mol. Its IUPAC name is 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642833
• Molecular Formula: C57H47N5Pt
• Molecular Weight: 997.12 g/mol
• Exact Mass: 996.35
• IUPAC Name: 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cccc(-n2c(-c3ccc(C(C)(C)C)c4c3[n-]c3ccccc34)nc3c(-c4[c-]c5c(cc4)c4ccc(C(C)(C)C)cc4n5-c4cc(-c5ccccc5)ccn4)cccc32)c1.[Pt+2]
• InChI: InChI=1S/C57H47N5.Pt/c1-35-15-13-18-40(31-35)61-48-22-14-20-41(53(48)60-55(61)45-27-28-46(57(5,6)7)52-44-19-11-12-21-47(44)59-54(45)52)38-23-25-42-43-26-24-39(56(2,3)4)34-50(43)62(49(42)32-38)51-33-37(29-30-58-51)36-16-9-8-10-17-36;/h8-31,33-34H,1-7H3;/q-2;+2
• InChIKey: IQTQOMMYXRRLFS-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.12
LogP ≤ 5	14.48
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-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 176642833) is 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cccc(-n2c(-c3ccc(C(C)(C)C)c4c3[n-]c3ccccc34)nc3c(-c4[c-]c5c(cc4)c4ccc(C(C)(C)C)cc4n5-c4cc(-c5ccccc5)ccn4)cccc32)c1.[Pt+2].

What is the InChIKey of 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is IQTQOMMYXRRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N5.Pt/c1-35-15-13-18-40(31-35)61-48-22-14-20-41(53(48)60-55(61)45-27-28-46(57(5,6)7)52-44-19-11-12-21-47(44)59-54(45)52)38-23-25-42-43-26-24-39(56(2,3)4)34-50(43)62(49(42)32-38)51-33-37(29-30-58-51)36-16-9-8-10-17-36;/h8-31,33-34H,1-7H3;/q-2;+2.

What are the key properties of 7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

7-tert-butyl-2-[2-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 997.12 g/mol, XLogP of 14.48, 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-(4-tert-butylcarbazol-9-id-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).