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

C66H67N4OPt-3 — CID 162447613

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

2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162447613) has the molecular formula C66H67N4OPt-3 and a molecular weight of 1127.37 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162447613
• Molecular Formula: C66H67N4OPt-3
• Molecular Weight: 1127.37 g/mol
• Exact Mass: 1126.50
• IUPAC Name: 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)c1.[Pt]
• InChI: InChI=1S/C66H67N4O.Pt/c1-62(2,3)48-36-50(69-43-68(59-41-55(63(4,5)6)56(42-60(59)69)64(7,8)9)49-28-22-27-46(35-49)65(10,11)44-23-16-14-17-24-44)39-52(37-48)71-51-31-32-54-53-29-20-21-30-57(53)70(58(54)40-51)61-38-47(33-34-67-61)66(12,13)45-25-18-15-19-26-45;/h14-38,41-43H,1-13H3;/q-3
• InChIKey: FBFQMVPJFJOVEQ-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.37
LogP ≤ 5	17.52
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-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162447613) is 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-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-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)c1.[Pt].

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

The InChIKey is FBFQMVPJFJOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H67N4O.Pt/c1-62(2,3)48-36-50(69-43-68(59-41-55(63(4,5)6)56(42-60(59)69)64(7,8)9)49-28-22-27-46(35-49)65(10,11)44-23-16-14-17-24-44)39-52(37-48)71-51-31-32-54-53-29-20-21-30-57(53)70(58(54)40-51)61-38-47(33-34-67-61)66(12,13)45-25-18-15-19-26-45;/h14-38,41-43H,1-13H3;/q-3;.

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

2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1127.37 g/mol, XLogP of 17.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).