5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum

C74H71N5OPt-2 — CID 166562739

About 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum

5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum (PubChem CID 166562739) has the molecular formula C74H71N5OPt-2 and a molecular weight of 1241.49 g/mol. Its IUPAC name is 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum.

Molecular Properties

• Compound Name: 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum
• PubChem CID: 166562739
• Molecular Formula: C74H71N5OPt-2
• Molecular Weight: 1241.49 g/mol
• Exact Mass: 1240.53
• IUPAC Name: 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum
• SMILES: CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc7c(c6)c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c68)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C74H71N5O.Pt/c1-70(2,3)47-25-30-64-59(38-47)61-40-51(74(13,14)15)39-60-58-34-46(24-29-63(58)79(64)69(60)61)45-23-28-62-57(33-45)56-27-26-55(43-67(56)78(62)68-41-48(31-32-75-68)71(4,5)6)80-54-20-18-19-52(42-54)76-44-77(66-22-17-16-21-65(66)76)53-36-49(72(7,8)9)35-50(37-53)73(10,11)12;/h16-41H,1-15H3;/q-2
• InChIKey: GWULECGYWLGKBF-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 40.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1241.49
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum?

The IUPAC name of 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum (CID 166562739) is 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum.

What is the SMILES notation for 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum?

The canonical SMILES for 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc7c(c6)c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c68)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum?

The InChIKey is GWULECGYWLGKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H71N5O.Pt/c1-70(2,3)47-25-30-64-59(38-47)61-40-51(74(13,14)15)39-60-58-34-46(24-29-63(58)79(64)69(60)61)45-23-28-62-57(33-45)56-27-26-55(43-67(56)78(62)68-41-48(31-32-75-68)71(4,5)6)80-54-20-18-19-52(42-54)76-44-77(66-22-17-16-21-65(66)76)53-36-49(72(7,8)9)35-50(37-53)73(10,11)12;/h16-41H,1-15H3;/q-2;.

What are the key properties of 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum?

5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum has a molecular weight of 1241.49 g/mol, XLogP of 18.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum is sourced from PubChem (CID 166562739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).