2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum

C64H57N4OPt- — CID 177093904

About 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 177093904) has the molecular formula C64H57N4OPt- and a molecular weight of 1093.26 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177093904
• Molecular Formula: C64H57N4OPt-
• Molecular Weight: 1093.26 g/mol
• Exact Mass: 1092.42
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C64H57N4O.Pt/c1-62(2,3)46-32-44(51-21-16-23-58-60(51)66-61(53-20-13-15-24-59(53)69)68(58)50-38-47(63(4,5)6)37-48(39-50)64(7,8)9)31-45(33-46)55-36-43(29-30-65-55)42-26-28-57-54(35-42)52-19-12-14-22-56(52)67(57)49-27-25-40-17-10-11-18-41(40)34-49;/h10-30,32-39,69H,1-9H3;/q-1
• InChIKey: ZWHODFFGQHCZRL-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.26
LogP ≤ 5	16.73
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 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum (CID 177093904) is 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is ZWHODFFGQHCZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N4O.Pt/c1-62(2,3)46-32-44(51-21-16-23-58-60(51)66-61(53-20-13-15-24-59(53)69)68(58)50-38-47(63(4,5)6)37-48(39-50)64(7,8)9)31-45(33-46)55-36-43(29-30-65-55)42-26-28-57-54(35-42)52-19-12-14-22-56(52)67(57)49-27-25-40-17-10-11-18-41(40)34-49;/h10-30,32-39,69H,1-9H3;/q-1;.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1093.26 g/mol, XLogP of 16.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(9-naphthalen-2-ylcarbazol-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177093904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).