9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)

C59H44N4Pt — CID 164845420

About 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)

9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 164845420) has the molecular formula C59H44N4Pt and a molecular weight of 1004.11 g/mol. Its IUPAC name is 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 164845420
• Molecular Formula: C59H44N4Pt
• Molecular Weight: 1004.11 g/mol
• Exact Mass: 1003.32
• IUPAC Name: 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1c(-c2ccccc2)cc(-c2[c-]cccc2)nc1-c1cccc2c1nc(-n1c3[c-]ccc(-c4ccccc4)c3c3ccccc31)n2-c1ccc(C(C)(C)C)cc1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C59H44N4.Pt/c1-39-48(41-23-11-6-12-24-41)38-50(43-27-15-8-16-28-43)60-56(39)47-31-20-34-54-57(47)61-58(63(54)52-36-35-44(59(2,3)4)37-49(52)42-25-13-7-14-26-42)62-51-32-18-17-29-46(51)55-45(30-19-33-53(55)62)40-21-9-5-10-22-40;/h5-27,29-32,34-38H,1-4H3;/q-2;+2
• InChIKey: DWMYINKSSAYWRP-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.11
LogP ≤ 5	15.06
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 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) (CID 164845420) is 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) is Cc1c(-c2ccccc2)cc(-c2[c-]cccc2)nc1-c1cccc2c1nc(-n1c3[c-]ccc(-c4ccccc4)c3c3ccccc31)n2-c1ccc(C(C)(C)C)cc1-c1ccccc1.[Pt+2].

What is the InChIKey of 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is DWMYINKSSAYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4.Pt/c1-39-48(41-23-11-6-12-24-41)38-50(43-27-15-8-16-28-43)60-56(39)47-31-20-34-54-57(47)61-58(63(54)52-36-35-44(59(2,3)4)37-49(52)42-25-13-7-14-26-42)62-51-32-18-17-29-46(51)55-45(30-19-33-53(55)62)40-21-9-5-10-22-40;/h5-27,29-32,34-38H,1-4H3;/q-2;+2.

What are the key properties of 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1004.11 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-methyl-4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 164845420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).