2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C76H71N4OPt-3 — CID 162447841

About 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162447841) has the molecular formula C76H71N4OPt-3 and a molecular weight of 1251.51 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162447841
• Molecular Formula: C76H71N4OPt-3
• Molecular Weight: 1251.51 g/mol
• Exact Mass: 1250.53
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1cc(-c2ccccc2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C76H71N4O.Pt/c1-50(2)64-31-23-32-65(51(3)4)73(64)53-34-37-69-71(42-53)79(49-78(69)60-41-54(52-24-15-12-16-25-52)40-58(43-60)74(5,6)7)61-44-59(76(10,11)56-28-19-14-20-29-56)45-63(47-61)81-62-35-36-67-66-30-21-22-33-68(66)80(70(67)48-62)72-46-57(38-39-77-72)75(8,9)55-26-17-13-18-27-55;/h12-46,49-51H,1-11H3;/q-3
• InChIKey: IBXSEBFLPCHSPS-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.51
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162447841) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1cc(-c2ccccc2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is IBXSEBFLPCHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H71N4O.Pt/c1-50(2)64-31-23-32-65(51(3)4)73(64)53-34-37-69-71(42-53)79(49-78(69)60-41-54(52-24-15-12-16-25-52)40-58(43-60)74(5,6)7)61-44-59(76(10,11)56-28-19-14-20-29-56)45-63(47-61)81-62-35-36-67-66-30-21-22-33-68(66)80(70(67)48-62)72-46-57(38-39-77-72)75(8,9)55-26-17-13-18-27-55;/h12-46,49-51H,1-11H3;/q-3;.

What are the key properties of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1251.51 g/mol, XLogP of 20.51, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).