2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C62H56F2N4OPt+2 — CID 172531049

About 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 172531049) has the molecular formula C62H56F2N4OPt+2 and a molecular weight of 1106.23 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 172531049
• Molecular Formula: C62H56F2N4OPt+2
• Molecular Weight: 1106.23 g/mol
• Exact Mass: 1105.41
• IUPAC Name: 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cc(-c2cccc(-c3cc(F)cc(F)c3)c2[N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C62H56F2N4O.Pt/c1-38(2)40-26-41(39(3)4)28-42(27-40)51-17-15-18-52(43-29-46(63)34-47(64)30-43)60(51)67-37-66(56-20-13-14-21-57(56)67)48-31-45(62(8,9)10)32-50(35-48)69-49-22-23-54-53-16-11-12-19-55(53)68(58(54)36-49)59-33-44(24-25-65-59)61(5,6)7;/h11-34,38-39H,1-10H3;/q;+2
• InChIKey: IEUNTQVHRNZAMZ-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 33.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.23
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 172531049) is 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cc(-c2cccc(-c3cc(F)cc(F)c3)c2[N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)C)c1.[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is IEUNTQVHRNZAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56F2N4O.Pt/c1-38(2)40-26-41(39(3)4)28-42(27-40)51-17-15-18-52(43-29-46(63)34-47(64)30-43)60(51)67-37-66(56-20-13-14-21-57(56)67)48-31-45(62(8,9)10)32-50(35-48)69-49-22-23-54-53-16-11-12-19-55(53)68(58(54)36-49)59-33-44(24-25-65-59)61(5,6)7;/h11-34,38-39H,1-10H3;/q;+2.

What are the key properties of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1106.23 g/mol, XLogP of 16.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 172531049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).