2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum

C58H57N4OPt- — CID 177094096

About 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum

2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (PubChem CID 177094096) has the molecular formula C58H57N4OPt- and a molecular weight of 1021.20 g/mol. Its IUPAC name is 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 177094096
• Molecular Formula: C58H57N4OPt-
• Molecular Weight: 1021.20 g/mol
• Exact Mass: 1020.42
• IUPAC Name: 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
• SMILES: Cc1cc2cc(C(C)(C)C)cc(-c3ccnc(-c4[c-]c(-c5cccc6c5nc(-c5ccccc5O)n6C)ccc4)c3)c2n1-c1cccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C58H57N4O.Pt/c1-36-27-42-31-45(58(8,9)10)35-49(54(42)62(36)46-20-15-17-37(32-46)41-29-43(56(2,3)4)34-44(30-41)57(5,6)7)39-25-26-59-50(33-39)40-19-14-18-38(28-40)47-22-16-23-51-53(47)60-55(61(51)11)48-21-12-13-24-52(48)63;/h12-27,29-35,63H,1-11H3;/q-1
• InChIKey: ONSJNEBMHDDSSG-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.20
LogP ≤ 5	14.95
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-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (CID 177094096) is 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is Cc1cc2cc(C(C)(C)C)cc(-c3ccnc(-c4[c-]c(-c5cccc6c5nc(-c5ccccc5O)n6C)ccc4)c3)c2n1-c1cccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt].

What is the InChIKey of 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is ONSJNEBMHDDSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57N4O.Pt/c1-36-27-42-31-45(58(8,9)10)35-49(54(42)62(36)46-20-15-17-37(32-46)41-29-43(56(2,3)4)34-44(30-41)57(5,6)7)39-25-26-59-50(33-39)40-19-14-18-38(28-40)47-22-16-23-51-53(47)60-55(61(51)11)48-21-12-13-24-52(48)63;/h12-27,29-35,63H,1-11H3;/q-1;.

What are the key properties of 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 1021.20 g/mol, XLogP of 14.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[5-tert-butyl-1-[3-(3,5-ditert-butylphenyl)phenyl]-2-methylindol-7-yl]-2-pyridinyl]benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177094096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).