2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)

C65H63N5Pt — CID 176643085

About 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)

2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643085) has the molecular formula C65H63N5Pt and a molecular weight of 1109.33 g/mol. Its IUPAC name is 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643085
• Molecular Formula: C65H63N5Pt
• Molecular Weight: 1109.33 g/mol
• Exact Mass: 1108.47
• IUPAC Name: 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)[c-]c3n(-c3cc(C(C)(C)c4ccccc4)ccn3)c2cc1C(C)C.[Pt+2]
• InChI: InChI=1S/C65H63N5.Pt/c1-39(2)52-37-54-49-29-28-41(32-57(49)70(58(54)38-53(52)40(3)4)59-36-43(30-31-66-59)65(11,12)42-20-14-13-15-21-42)47-23-19-27-56-61(47)68-62(51-25-18-24-50-48-22-16-17-26-55(48)67-60(50)51)69(56)46-34-44(63(5,6)7)33-45(35-46)64(8,9)10;/h13-31,33-40H,1-12H3;/q-2;+2
• InChIKey: JBZFIFZNNOUMMJ-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.33
LogP ≤ 5	17.08
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-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 176643085) is 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)[c-]c3n(-c3cc(C(C)(C)c4ccccc4)ccn3)c2cc1C(C)C.[Pt+2].

What is the InChIKey of 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is JBZFIFZNNOUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H63N5.Pt/c1-39(2)52-37-54-49-29-28-41(32-57(49)70(58(54)38-53(52)40(3)4)59-36-43(30-31-66-59)65(11,12)42-20-14-13-15-21-42)47-23-19-27-56-61(47)68-62(51-25-18-24-50-48-22-16-17-26-55(48)67-60(50)51)69(56)46-34-44(63(5,6)7)33-45(35-46)64(8,9)10;/h13-31,33-40H,1-12H3;/q-2;+2.

What are the key properties of 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1109.33 g/mol, XLogP of 17.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-carbazol-9-id-1-yl-1-(3,5-ditert-butylphenyl)benzimidazol-4-yl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6,7-di(propan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).