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

C52H53F2N5Pt+2 — CID 162465652

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

5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) (PubChem CID 162465652) has the molecular formula C52H53F2N5Pt+2 and a molecular weight of 985.13 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)
• PubChem CID: 162465652
• Molecular Formula: C52H53F2N5Pt+2
• Molecular Weight: 985.13 g/mol
• Exact Mass: 984.42
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-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(nc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1c(C(C)(C)C)cccc1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C52H53F2N5.Pt/c1-48(2,3)33-24-25-55-45(30-33)59-41-21-14-13-18-38(41)46-44(59)29-36(31-56-46)52(53,54)35-26-34(49(4,5)6)27-37(28-35)57-32-58(43-23-16-15-22-42(43)57)47-39(50(7,8)9)19-17-20-40(47)51(10,11)12;/h13-27,30-31H,1-12H3;/q;+2/i15D,16D,22D,23D
• InChIKey: PUJMAWXNWGCWOH-XKIMGNFXSA-N
• XLogP: 13.36
• TPSA: 36.73 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.13
LogP ≤ 5	13.36
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)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) (CID 162465652) is 5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+).

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

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-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(nc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1c(C(C)(C)C)cccc1C(C)(C)C.[Pt+2].

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

The InChIKey is PUJMAWXNWGCWOH-XKIMGNFXSA-N. The full InChI is InChI=1S/C52H53F2N5.Pt/c1-48(2,3)33-24-25-55-45(30-33)59-41-21-14-13-18-38(41)46-44(59)29-36(31-56-46)52(53,54)35-26-34(49(4,5)6)27-37(28-35)57-32-58(43-23-16-15-22-42(43)57)47-39(50(7,8)9)19-17-20-40(47)51(10,11)12;/h13-27,30-31H,1-12H3;/q;+2/i15D,16D,22D,23D;.

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

5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) has a molecular weight of 985.13 g/mol, XLogP of 13.36, 5 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)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) is sourced from PubChem (CID 162465652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).