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

C70H56F2N4OPt+2 — CID 172530292

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 172530292) has the molecular formula C70H56F2N4OPt+2 and a molecular weight of 1202.32 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 172530292
• Molecular Formula: C70H56F2N4OPt+2
• Molecular Weight: 1202.32 g/mol
• Exact Mass: 1201.41
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c([N+]2=C=[N+](c3c(-c4ccccc4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C70H56F2N4O.Pt/c1-44(2)61-37-48(46-19-10-8-11-20-46)38-62(45(3)4)68(61)50-35-54(41-56(36-50)77-55-29-30-60-59-23-14-15-26-63(59)76(66(60)42-55)67-39-51(31-32-73-67)70(5,6)7)74-43-75(65-28-17-16-27-64(65)74)69-57(47-21-12-9-13-22-47)24-18-25-58(69)49-33-52(71)40-53(72)34-49;/h8-40,44-45H,1-7H3;/q;+2
• InChIKey: YLQMXUZVPKJXIA-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 33.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1202.32
LogP ≤ 5	18.92
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 172530292) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c([N+]2=C=[N+](c3c(-c4ccccc4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.[Pt+2].

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

The InChIKey is YLQMXUZVPKJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56F2N4O.Pt/c1-44(2)61-37-48(46-19-10-8-11-20-46)38-62(45(3)4)68(61)50-35-54(41-56(36-50)77-55-29-30-60-59-23-14-15-26-63(59)76(66(60)42-55)67-39-51(31-32-73-67)70(5,6)7)74-43-75(65-28-17-16-27-64(65)74)69-57(47-21-12-9-13-22-47)24-18-25-58(69)49-33-52(71)40-53(72)34-49;/h8-40,44-45H,1-7H3;/q;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1202.32 g/mol, XLogP of 18.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 172530292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).