16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum

C78H46N6OPt-2 — CID 168811617

About 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum

16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum (PubChem CID 168811617) has the molecular formula C78H46N6OPt-2 and a molecular weight of 1288.41 g/mol. Its IUPAC name is 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum.

Molecular Properties

• Compound Name: 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum
• PubChem CID: 168811617
• Molecular Formula: C78H46N6OPt-2
• Molecular Weight: 1288.41 g/mol
• Exact Mass: 1287.40
• IUPAC Name: 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2[c-][n+](-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc5c(cn4)c4ccccc4n4c6ccccc6c6cccc(c64)n4c6ccccc6c6cccc5c64)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C78H46N6O.Pt/c1-3-21-50(22-4-1)55-31-18-32-56(51-23-5-2-6-24-51)76(55)81-49-80(71-40-15-16-41-72(71)81)52-25-17-26-53(45-52)85-54-43-44-61-57-27-7-11-36-67(57)82(74(61)46-54)75-47-65-64-34-19-33-62-58-28-8-13-38-69(58)84(77(62)64)73-42-20-35-63-59-29-9-12-37-68(59)83(78(63)73)70-39-14-10-30-60(70)66(65)48-79-75;/h1-44,47-48H;/q-2;/i1D,2D,3D,4D,5D,6D,21D,22D,23D,24D
• InChIKey: YZJPXRYYUNSAON-XKJPEPERSA-N
• XLogP: 18.91
• TPSA: 44.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1288.41
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum?

The IUPAC name of 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum (CID 168811617) is 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum.

What is the SMILES notation for 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum?

The canonical SMILES for 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2[c-][n+](-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc5c(cn4)c4ccccc4n4c6ccccc6c6cccc(c64)n4c6ccccc6c6cccc5c64)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum?

The InChIKey is YZJPXRYYUNSAON-XKJPEPERSA-N. The full InChI is InChI=1S/C78H46N6O.Pt/c1-3-21-50(22-4-1)55-31-18-32-56(51-23-5-2-6-24-51)76(55)81-49-80(71-40-15-16-41-72(71)81)52-25-17-26-53(45-52)85-54-43-44-61-57-27-7-11-36-67(57)82(74(61)46-54)75-47-65-64-34-19-33-62-58-28-8-13-38-69(58)84(77(62)64)73-42-20-35-63-59-29-9-12-37-68(59)83(78(63)73)70-39-14-10-30-60(70)66(65)48-79-75;/h1-44,47-48H;/q-2;/i1D,2D,3D,4D,5D,6D,21D,22D,23D,24D;.

What are the key properties of 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum?

16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum has a molecular weight of 1288.41 g/mol, XLogP of 18.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-2,17,26-triazanonacyclo[24.10.1.12,9.03,8.014,19.020,25.027,32.033,37.013,38]octatriaconta-1(36),3,5,7,9(38),10,12,14,16,18,20,22,24,27,29,31,33(37),34-octadecaene;platinum is sourced from PubChem (CID 168811617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).