3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum

C50H45FN3OPt- — CID 177293840

About 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum

3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum (PubChem CID 177293840) has the molecular formula C50H45FN3OPt- and a molecular weight of 918.01 g/mol. Its IUPAC name is 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum
• PubChem CID: 177293840
• Molecular Formula: C50H45FN3OPt-
• Molecular Weight: 918.01 g/mol
• Exact Mass: 917.32
• IUPAC Name: 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2cc3ccccc3cc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(F)cc21.[Pt]
• InChI: InChI=1S/C50H45FN3O.Pt/c1-30(2)40-18-13-19-41(31(3)4)48(40)54-45-29-39(51)28-42(47(45)53-49(54)43-25-33-16-11-12-17-34(33)27-46(43)55)36-22-37(24-38(23-36)50(5,6)7)44-26-35(20-21-52-44)32-14-9-8-10-15-32;/h8-21,23-31,55H,1-7H3;/q-1
• InChIKey: QZNXVFCPCQXEMH-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.01
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum?

The IUPAC name of 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum (CID 177293840) is 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum.

What is the SMILES notation for 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum?

The canonical SMILES for 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum is CC(C)c1cccc(C(C)C)c1-n1c(-c2cc3ccccc3cc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(F)cc21.[Pt].

What is the InChIKey of 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum?

The InChIKey is QZNXVFCPCQXEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45FN3O.Pt/c1-30(2)40-18-13-19-41(31(3)4)48(40)54-45-29-39(51)28-42(47(45)53-49(54)43-25-33-16-11-12-17-34(33)27-46(43)55)36-22-37(24-38(23-36)50(5,6)7)44-26-35(20-21-52-44)32-14-9-8-10-15-32;/h8-21,23-31,55H,1-7H3;/q-1;.

What are the key properties of 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum?

3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum has a molecular weight of 918.01 g/mol, XLogP of 13.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-fluorobenzimidazol-2-yl]naphthalen-2-ol;platinum is sourced from PubChem (CID 177293840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).