2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C73H71F2N4OPt-3 — CID 172531573

About 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172531573) has the molecular formula C73H71F2N4OPt-3 and a molecular weight of 1254.48 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172531573
• Molecular Formula: C73H71F2N4OPt-3
• Molecular Weight: 1254.48 g/mol
• Exact Mass: 1253.53
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]C(C)(C)c1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(F)cc(F)c4)cc(C(C)(C)C)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C73H71F2N4O.Pt/c1-45(2)58-21-15-16-22-59(58)48-35-55(42-57(36-48)80-56-27-28-61-60-23-17-18-24-64(60)79(67(61)43-56)68-40-49(29-30-76-68)70(3,4)5)77-44-78(66-26-20-19-25-65(66)77)69-62(46-31-50(71(6,7)8)37-51(32-46)72(9,10)11)38-52(73(12,13)14)39-63(69)47-33-53(74)41-54(75)34-47;/h15-41,44-45H,1-14H3;/q-3;/i45D
• InChIKey: LGHSMRCKSCIFIF-ZAVZKCTMSA-N
• XLogP: 20.57
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1254.48
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172531573) is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]C(C)(C)c1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(F)cc(F)c4)cc(C(C)(C)C)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is LGHSMRCKSCIFIF-ZAVZKCTMSA-N. The full InChI is InChI=1S/C73H71F2N4O.Pt/c1-45(2)58-21-15-16-22-59(58)48-35-55(42-57(36-48)80-56-27-28-61-60-23-17-18-24-64(60)79(67(61)43-56)68-40-49(29-30-76-68)70(3,4)5)77-44-78(66-26-20-19-25-65(66)77)69-62(46-31-50(71(6,7)8)37-51(32-46)72(9,10)11)38-52(73(12,13)14)39-63(69)47-33-53(74)41-54(75)34-47;/h15-41,44-45H,1-14H3;/q-3;/i45D;.

What are the key properties of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1254.48 g/mol, XLogP of 20.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2-(2-deuteriopropan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).