10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum

C173H157N11O2Pt2-4 — CID 161096235

About 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum

10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum (PubChem CID 161096235) has the molecular formula C173H157N11O2Pt2-4 and a molecular weight of 2812.39 g/mol. Its IUPAC name is 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum.

Molecular Properties

• Compound Name: 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum
• PubChem CID: 161096235
• Molecular Formula: C173H157N11O2Pt2-4
• Molecular Weight: 2812.39 g/mol
• Exact Mass: 2810.18
• IUPAC Name: 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccc4c(c3)c3ccc(Oc5[c-]c(-n6[c-][n+](-c7cc8c9ccccc9n9c%10ccccc%10c(c7)c89)c7ccccc76)ccc5)[c-]c3n4-c3cc(C(C)(C)C)ccn3)c2)cc(C(C)(C)C)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)c1.[Pt].[Pt]
• InChI: InChI=1S/C87H78N6O.C86H79N5O.2Pt/c1-83(2,3)59-33-34-89-81(45-59)92-77-32-29-53(54-35-55(57-38-60(84(4,5)6)43-61(39-57)85(7,8)9)37-56(36-54)58-40-62(86(10,11)12)44-63(41-58)87(13,14)15)42-72(77)71-31-30-67(51-80(71)92)94-68-47-64(88-16)46-65(48-68)90-52-91(79-28-22-21-27-78(79)90)66-49-73-69-23-17-19-25-75(69)93-76-26-20-18-24-70(76)74(50-66)82(73)93;1-82(2,3)59-35-36-87-80(47-59)90-76-34-31-53(54-37-55(57-40-60(83(4,5)6)45-61(41-57)84(7,8)9)39-56(38-54)58-42-62(85(10,11)12)46-63(43-58)86(13,14)15)44-71(76)70-33-32-67(51-79(70)90)92-66-24-22-23-64(48-66)88-52-89(78-30-21-20-29-77(78)88)65-49-72-68-25-16-18-27-74(68)91-75-28-19-17-26-69(75)73(50-65)81(72)91;;/h17-47,49-50H,1-15H3;16-47,49-50H,1-15H3;;/q2*-2
• InChIKey: OAARCXUPTSYMJO-UHFFFAOYSA-N
• XLogP: 45.01
• TPSA: 84.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2812.39
LogP ≤ 5	45.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum?

The IUPAC name of 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum (CID 161096235) is 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum.

What is the SMILES notation for 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum?

The canonical SMILES for 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccc4c(c3)c3ccc(Oc5[c-]c(-n6[c-][n+](-c7cc8c9ccccc9n9c%10ccccc%10c(c7)c89)c7ccccc76)ccc5)[c-]c3n4-c3cc(C(C)(C)C)ccn3)c2)cc(C(C)(C)C)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)c1.[Pt].[Pt].

What is the InChIKey of 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum?

The InChIKey is OAARCXUPTSYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H78N6O.C86H79N5O.2Pt/c1-83(2,3)59-33-34-89-81(45-59)92-77-32-29-53(54-35-55(57-38-60(84(4,5)6)43-61(39-57)85(7,8)9)37-56(36-54)58-40-62(86(10,11)12)44-63(41-58)87(13,14)15)42-72(77)71-31-30-67(51-80(71)92)94-68-47-64(88-16)46-65(48-68)90-52-91(79-28-22-21-27-78(79)90)66-49-73-69-23-17-19-25-75(69)93-76-26-20-18-24-70(76)74(50-66)82(73)93;1-82(2,3)59-35-36-87-80(47-59)90-76-34-31-53(54-37-55(57-40-60(83(4,5)6)45-61(41-57)84(7,8)9)39-56(38-54)58-42-62(85(10,11)12)46-63(43-58)86(13,14)15)44-71(76)70-33-32-67(51-79(70)90)92-66-24-22-23-64(48-66)88-52-89(78-30-21-20-29-77(78)88)65-49-72-68-25-16-18-27-74(68)91-75-28-19-17-26-69(75)73(50-65)81(72)91;;/h17-47,49-50H,1-15H3;16-47,49-50H,1-15H3;;/q2*-2;;.

What are the key properties of 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum?

10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum has a molecular weight of 2812.39 g/mol, XLogP of 45.01, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum is sourced from PubChem (CID 161096235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).