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

C45H39F2N5Pt+2 — CID 162465798

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

5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) (PubChem CID 162465798) has the molecular formula C45H39F2N5Pt+2 and a molecular weight of 889.96 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)
• PubChem CID: 162465798
• Molecular Formula: C45H39F2N5Pt+2
• Molecular Weight: 889.96 g/mol
• Exact Mass: 889.32
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)
• SMILES: [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1[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/C45H39F2N5.Pt/c1-29-12-15-34(16-13-29)50-28-51(40-11-9-8-10-39(40)50)35-23-32(44(5,6)7)22-33(24-35)45(46,47)31-14-17-36-37-27-48-20-19-38(37)52(41(36)25-31)42-26-30(18-21-49-42)43(2,3)4;/h8-23,26-27H,1-7H3;/q;+2/i1D3,12D,13D,15D,16D
• InChIKey: VSRBJJKQKQJYLO-DGTSVKQDSA-N
• XLogP: 11.07
• TPSA: 36.73 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.96
LogP ≤ 5	11.07
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 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) (CID 162465798) is 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+).

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

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) is [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1[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 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)?

The InChIKey is VSRBJJKQKQJYLO-DGTSVKQDSA-N. The full InChI is InChI=1S/C45H39F2N5.Pt/c1-29-12-15-34(16-13-29)50-28-51(40-11-9-8-10-39(40)50)35-23-32(44(5,6)7)22-33(24-35)45(46,47)31-14-17-36-37-27-48-20-19-38(37)52(41(36)25-31)42-26-30(18-21-49-42)43(2,3)4;/h8-23,26-27H,1-7H3;/q;+2/i1D3,12D,13D,15D,16D;.

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

5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) has a molecular weight of 889.96 g/mol, XLogP of 11.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+) is sourced from PubChem (CID 162465798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).