9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C60H46N4OPt-2 — CID 171609723

About 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 171609723) has the molecular formula C60H46N4OPt-2 and a molecular weight of 1034.13 g/mol. Its IUPAC name is 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 171609723
• Molecular Formula: C60H46N4OPt-2
• Molecular Weight: 1034.13 g/mol
• Exact Mass: 1033.33
• IUPAC Name: 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccc(-c7ccccc7)cc65)ccc4)ccc3c3ccccc32)c1)C(C)(C)C.[Pt]
• InChI: InChI=1S/C60H46N4O.Pt/c1-41(60(2,3)4)45-34-35-61-58(37-45)64-54-29-15-14-26-52(54)53-32-31-49(39-56(53)64)65-48-25-16-24-47(38-48)62-40-63(55-33-30-46(36-57(55)62)42-18-8-5-9-19-42)59-50(43-20-10-6-11-21-43)27-17-28-51(59)44-22-12-7-13-23-44;/h5-37,41H,1-4H3;/q-2
• InChIKey: VCYCEDSJEPFUTB-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.13
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 171609723) is 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccc(-c7ccccc7)cc65)ccc4)ccc3c3ccccc32)c1)C(C)(C)C.[Pt].

What is the InChIKey of 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is VCYCEDSJEPFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4O.Pt/c1-41(60(2,3)4)45-34-35-61-58(37-45)64-54-29-15-14-26-52(54)53-32-31-49(39-56(53)64)65-48-25-16-24-47(38-48)62-40-63(55-33-30-46(36-57(55)62)42-18-8-5-9-19-42)59-50(43-20-10-6-11-21-43)27-17-28-51(59)44-22-12-7-13-23-44;/h5-37,41H,1-4H3;/q-2;.

What are the key properties of 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1034.13 g/mol, XLogP of 14.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171609723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).