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

C69H73N4OPt-3 — CID 162449593

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162449593) has the molecular formula C69H73N4OPt-3 and a molecular weight of 1169.45 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162449593
• Molecular Formula: C69H73N4OPt-3
• Molecular Weight: 1169.45 g/mol
• Exact Mass: 1168.54
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C69H73N4O.Pt/c1-44(2)56-24-21-25-57(45(3)4)65(56)46-34-52(71-43-72(62-27-20-19-26-61(62)71)53-37-50(67(8,9)10)36-51(38-53)68(11,12)13)41-55(35-46)74-54-29-30-58-59-39-49(69(14,15)47-22-17-16-18-23-47)28-31-60(59)73(63(58)42-54)64-40-48(32-33-70-64)66(5,6)7;/h16-40,43-45H,1-15H3;/q-3
• InChIKey: RYLLHBFZVMYPRJ-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.45
LogP ≤ 5	19.11
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162449593) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1.[Pt].

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

The InChIKey is RYLLHBFZVMYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H73N4O.Pt/c1-44(2)56-24-21-25-57(45(3)4)65(56)46-34-52(71-43-72(62-27-20-19-26-61(62)71)53-37-50(67(8,9)10)36-51(38-53)68(11,12)13)41-55(35-46)74-54-29-30-58-59-39-49(69(14,15)47-22-17-16-18-23-47)28-31-60(59)73(63(58)42-54)64-40-48(32-33-70-64)66(5,6)7;/h16-40,43-45H,1-15H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1169.45 g/mol, XLogP of 19.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).