3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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 162465618

About 3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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 162465618) has the molecular formula C48H45F2N5Pt+2 and a molecular weight of 929.02 g/mol. Its IUPAC name is 3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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: 162465618
• Molecular Formula: C48H45F2N5Pt+2
• Molecular Weight: 929.02 g/mol
• Exact Mass: 928.35
• IUPAC Name: 3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cn3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1ccccc1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C48H45F2N5.Pt/c1-45(2,3)31-22-23-51-44(27-31)55-38-18-12-10-16-35(38)36-29-52-43(28-42(36)55)48(49,50)33-24-32(46(4,5)6)25-34(26-33)53-30-54(41-21-15-14-20-40(41)53)39-19-13-11-17-37(39)47(7,8)9;/h10-25,27,29H,1-9H3;/q;+2/i14D,15D,20D,21D
• InChIKey: FKDXQOQXEYZTLM-IBPKJERISA-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	929.02
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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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 162465618) is 3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cn3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1ccccc1C(C)(C)C.[Pt+2].

What is the InChIKey of 3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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 FKDXQOQXEYZTLM-IBPKJERISA-N. The full InChI is InChI=1S/C48H45F2N5.Pt/c1-45(2,3)31-22-23-51-44(27-31)55-38-18-12-10-16-35(38)36-29-52-43(28-42(36)55)48(49,50)33-24-32(46(4,5)6)25-34(26-33)53-30-54(41-21-15-14-20-40(41)53)39-19-13-11-17-37(39)47(7,8)9;/h10-25,27,29H,1-9H3;/q;+2/i14D,15D,20D,21D;.

What are the key properties of 3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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 929.02 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-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-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 162465618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).