3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum

C61H49N4OPt- — CID 162783152

About 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum

3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum (PubChem CID 162783152) has the molecular formula C61H49N4OPt- and a molecular weight of 1049.17 g/mol. Its IUPAC name is 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum
• PubChem CID: 162783152
• Molecular Formula: C61H49N4OPt-
• Molecular Weight: 1049.17 g/mol
• Exact Mass: 1048.36
• IUPAC Name: 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c5ccccc5n(-c5ccccc5)c4cc2O)n3-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C61H49N4O.Pt/c1-60(2,3)46-35-42(34-43(36-46)53-37-41(32-33-62-53)40-28-30-45(31-29-40)61(4,5)44-18-9-6-10-19-44)49-25-17-27-55-58(49)63-59(65(55)48-22-13-8-14-23-48)52-38-51-50-24-15-16-26-54(50)64(56(51)39-57(52)66)47-20-11-7-12-21-47;/h6-33,35-39,66H,1-5H3;/q-1
• InChIKey: FCKRRPYOWMMWND-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.17
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	1
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 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

The IUPAC name of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum (CID 162783152) is 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum.

What is the SMILES notation for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

The canonical SMILES for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c5ccccc5n(-c5ccccc5)c4cc2O)n3-c2ccccc2)c1.[Pt].

What is the InChIKey of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

The InChIKey is FCKRRPYOWMMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N4O.Pt/c1-60(2,3)46-35-42(34-43(36-46)53-37-41(32-33-62-53)40-28-30-45(31-29-40)61(4,5)44-18-9-6-10-19-44)49-25-17-27-55-58(49)63-59(65(55)48-22-13-8-14-23-48)52-38-51-50-24-15-16-26-54(50)64(56(51)39-57(52)66)47-20-11-7-12-21-47;/h6-33,35-39,66H,1-5H3;/q-1;.

What are the key properties of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum has a molecular weight of 1049.17 g/mol, XLogP of 15.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum is sourced from PubChem (CID 162783152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).