7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)

C52H45F2N5Pt+2 — CID 162465712

About 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)

7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) (PubChem CID 162465712) has the molecular formula C52H45F2N5Pt+2 and a molecular weight of 979.08 g/mol. Its IUPAC name is 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)
• PubChem CID: 162465712
• Molecular Formula: C52H45F2N5Pt+2
• Molecular Weight: 979.08 g/mol
• Exact Mass: 978.37
• IUPAC Name: 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccccc1[N+]1=C=[N+](c2[c-]c(C(F)(F)c3[c-]c4c(cc3)c3cnccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C52H45F2N5.Pt/c1-33-14-13-15-34(2)49(33)41-16-9-10-17-43(41)58-32-57(45-18-11-12-19-46(45)58)39-27-37(51(6,7)8)26-38(28-39)52(53,54)36-20-21-40-42-31-55-24-23-44(42)59(47(40)29-36)48-30-35(22-25-56-48)50(3,4)5;/h9-27,30-31H,1-8H3;/q;+2/i1D3,2D3
• InChIKey: INVOZPWAQIRVEF-TXHXQZCNSA-N
• XLogP: 13.05
• TPSA: 36.73 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.08
LogP ≤ 5	13.05
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 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)?

The IUPAC name of 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) (CID 162465712) is 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+).

What is the SMILES notation for 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)?

The canonical SMILES for 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) is [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccccc1[N+]1=C=[N+](c2[c-]c(C(F)(F)c3[c-]c4c(cc3)c3cnccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+2].

What is the InChIKey of 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)?

The InChIKey is INVOZPWAQIRVEF-TXHXQZCNSA-N. The full InChI is InChI=1S/C52H45F2N5.Pt/c1-33-14-13-15-34(2)49(33)41-16-9-10-17-43(41)58-32-57(45-18-11-12-19-46(45)58)39-27-37(51(6,7)8)26-38(28-39)52(53,54)36-20-21-40-42-31-55-24-23-44(42)59(47(40)29-36)48-30-35(22-25-56-48)50(3,4)5;/h9-27,30-31H,1-8H3;/q;+2/i1D3,2D3;.

What are the key properties of 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)?

7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) has a molecular weight of 979.08 g/mol, XLogP of 13.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) is sourced from PubChem (CID 162465712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).