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

C80H80F2N4OPt+2 — CID 172531241

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

2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 172531241) has the molecular formula C80H80F2N4OPt+2 and a molecular weight of 1346.62 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 172531241
• Molecular Formula: C80H80F2N4OPt+2
• Molecular Weight: 1346.62 g/mol
• Exact Mass: 1345.59
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cc(-c2cc(C(C)(C)C)cc(-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(-c4c(C5CCCCC5)cccc4C4CCCCC4)c3)c3ccccc32)cc(C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C80H80F2N4O.Pt/c1-50(2)54-36-55(51(3)4)38-56(37-54)70-43-60(80(8,9)10)44-71(57-39-61(81)46-62(82)40-57)78(70)85-49-84(73-30-19-20-31-74(73)85)63-41-58(77-66(52-22-13-11-14-23-52)27-21-28-67(77)53-24-15-12-16-25-53)42-65(47-63)87-64-32-33-69-68-26-17-18-29-72(68)86(75(69)48-64)76-45-59(34-35-83-76)79(5,6)7;/h17-21,26-46,50-53H,11-16,22-25H2,1-10H3;/q;+2
• InChIKey: YYIWXFHEOLQXDV-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 33.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1346.62
LogP ≤ 5	22.64
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-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 172531241) is 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cc(-c2cc(C(C)(C)C)cc(-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(-c4c(C5CCCCC5)cccc4C4CCCCC4)c3)c3ccccc32)cc(C(C)C)c1.[Pt+2].

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

The InChIKey is YYIWXFHEOLQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H80F2N4O.Pt/c1-50(2)54-36-55(51(3)4)38-56(37-54)70-43-60(80(8,9)10)44-71(57-39-61(81)46-62(82)40-57)78(70)85-49-84(73-30-19-20-31-74(73)85)63-41-58(77-66(52-22-13-11-14-23-52)27-21-28-67(77)53-24-15-12-16-25-53)42-65(47-63)87-64-32-33-69-68-26-17-18-29-72(68)86(75(69)48-64)76-45-59(34-35-83-76)79(5,6)7;/h17-21,26-46,50-53H,11-16,22-25H2,1-10H3;/q;+2.

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

2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1346.62 g/mol, XLogP of 22.64, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-(2,6-dicyclohexylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 172531241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).