3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)

C64H45F2N5OPt+2 — CID 172530970

About 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)

3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+) (PubChem CID 172530970) has the molecular formula C64H45F2N5OPt+2 and a molecular weight of 1133.17 g/mol. Its IUPAC name is 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+).

Molecular Properties

• Compound Name: 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)
• PubChem CID: 172530970
• Molecular Formula: C64H45F2N5OPt+2
• Molecular Weight: 1133.17 g/mol
• Exact Mass: 1132.32
• IUPAC Name: 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccc(F)cc7)cccc6-c6ccc(F)cc6)c6ccccc65)cc(N(c5ccccc5)c5ccccc5)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C64H45F2N5O.Pt/c1-64(2,3)45-35-36-67-62(37-45)71-58-22-11-10-19-56(58)57-34-33-52(41-61(57)71)72-53-39-50(38-51(40-53)70(48-15-6-4-7-16-48)49-17-8-5-9-18-49)68-42-69(60-24-13-12-23-59(60)68)63-54(43-25-29-46(65)30-26-43)20-14-21-55(63)44-27-31-47(66)32-28-44;/h4-38,40H,1-3H3;/q;+2
• InChIKey: WTZMCCBQCCUISC-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 36.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.17
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)?

The IUPAC name of 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+) (CID 172530970) is 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+).

What is the SMILES notation for 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)?

The canonical SMILES for 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccc(F)cc7)cccc6-c6ccc(F)cc6)c6ccccc65)cc(N(c5ccccc5)c5ccccc5)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)?

The InChIKey is WTZMCCBQCCUISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45F2N5O.Pt/c1-64(2,3)45-35-36-67-62(37-45)71-58-22-11-10-19-56(58)57-34-33-52(41-61(57)71)72-53-39-50(38-51(40-53)70(48-15-6-4-7-16-48)49-17-8-5-9-18-49)68-42-69(60-24-13-12-23-59(60)68)63-54(43-25-29-46(65)30-26-43)20-14-21-55(63)44-27-31-47(66)32-28-44;/h4-38,40H,1-3H3;/q;+2.

What are the key properties of 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+)?

3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+) has a molecular weight of 1133.17 g/mol, XLogP of 16.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2,6-bis(4-fluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum(2+) is sourced from PubChem (CID 172530970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).