2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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

C62H59N4OPt-3 — CID 162449560

About 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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-[5-tert-butyl-3-(4-tert-butylphenyl)-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 162449560) has the molecular formula C62H59N4OPt-3 and a molecular weight of 1071.26 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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-[5-tert-butyl-3-(4-tert-butylphenyl)-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: 162449560
• Molecular Formula: C62H59N4OPt-3
• Molecular Weight: 1071.26 g/mol
• Exact Mass: 1070.44
• IUPAC Name: 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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)(C)c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)c3ccc(C(C)(C)C)cc32)cc1.[Pt]
• InChI: InChI=1S/C62H59N4O.Pt/c1-59(2,3)42-25-28-48(29-26-42)64-41-65(55-32-27-45(37-57(55)64)60(4,5)6)49-35-47(62(9,10)44-21-15-12-16-22-44)36-51(39-49)67-50-30-31-53-52-23-17-18-24-54(52)66(56(53)40-50)58-38-46(33-34-63-58)61(7,8)43-19-13-11-14-20-43;/h11-38,41H,1-10H3;/q-3
• InChIKey: JDHAYKSTECFYJU-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.26
LogP ≤ 5	16.22
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-[5-tert-butyl-3-(4-tert-butylphenyl)-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-[5-tert-butyl-3-(4-tert-butylphenyl)-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 162449560) is 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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-[5-tert-butyl-3-(4-tert-butylphenyl)-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-[5-tert-butyl-3-(4-tert-butylphenyl)-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)(C)c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)c3ccc(C(C)(C)C)cc32)cc1.[Pt].

What is the InChIKey of 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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 JDHAYKSTECFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H59N4O.Pt/c1-59(2,3)42-25-28-48(29-26-42)64-41-65(55-32-27-45(37-57(55)64)60(4,5)6)49-35-47(62(9,10)44-21-15-12-16-22-44)36-51(39-49)67-50-30-31-53-52-23-17-18-24-54(52)66(56(53)40-50)58-38-46(33-34-63-58)61(7,8)43-19-13-11-14-20-43;/h11-38,41H,1-10H3;/q-3;.

What are the key properties of 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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-[5-tert-butyl-3-(4-tert-butylphenyl)-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 1071.26 g/mol, XLogP of 16.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-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 162449560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).