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

C48H45F2N5Pt+2 — CID 162465634

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

3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+) (PubChem CID 162465634) has the molecular formula C48H45F2N5Pt+2 and a molecular weight of 934.05 g/mol. Its IUPAC name is 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+)
• PubChem CID: 162465634
• Molecular Formula: C48H45F2N5Pt+2
• Molecular Weight: 934.05 g/mol
• Exact Mass: 933.38
• IUPAC Name: 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])C(c1ccc([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cn4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt+2]
• InChI: InChI=1S/C48H45F2N5.Pt/c1-45(2,3)31-18-20-35(21-19-31)53-30-54(41-17-13-12-16-40(41)53)36-25-33(47(7,8)9)24-34(26-36)48(49,50)43-28-42-38(29-52-43)37-14-10-11-15-39(37)55(42)44-27-32(22-23-51-44)46(4,5)6;/h10-25,27,29H,1-9H3;/q;+2/i1D3,2D3,3D3
• InChIKey: UTDBEUJPVASBBF-KYRNGWDOSA-N
• XLogP: 12.06
• TPSA: 36.73 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.05
LogP ≤ 5	12.06
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 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+)?

The IUPAC name of 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+) (CID 162465634) is 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+).

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

The canonical SMILES for 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+) is [2H]C([2H])([2H])C(c1ccc([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cn4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt+2].

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

The InChIKey is UTDBEUJPVASBBF-KYRNGWDOSA-N. The full InChI is InChI=1S/C48H45F2N5.Pt/c1-45(2,3)31-18-20-35(21-19-31)53-30-54(41-17-13-12-16-40(41)53)36-25-33(47(7,8)9)24-34(26-36)48(49,50)43-28-42-38(29-52-43)37-14-10-11-15-39(37)55(42)44-27-32(22-23-51-44)46(4,5)6;/h10-25,27,29H,1-9H3;/q;+2/i1D3,2D3,3D3;.

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

3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+) has a molecular weight of 934.05 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+) is sourced from PubChem (CID 162465634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).