9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum

C65H47N5OPt-2 — CID 171610125

About 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum

9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum (PubChem CID 171610125) has the molecular formula C65H47N5OPt-2 and a molecular weight of 1127.31 g/mol. Its IUPAC name is 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum.

Molecular Properties

• Compound Name: 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum
• PubChem CID: 171610125
• Molecular Formula: C65H47N5OPt-2
• Molecular Weight: 1127.31 g/mol
• Exact Mass: 1126.46
• IUPAC Name: 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c4)c4ccccc4n5-c4cc(C(CC)CC)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C65H47N5O.Pt/c1-3-44(4-2)47-37-38-66-63(39-47)70-58-34-16-13-29-55(58)64-61(69-56-32-14-11-27-53(56)54-28-12-15-33-57(54)69)41-50(42-62(64)70)71-49-26-19-25-48(40-49)67-43-68(60-36-18-17-35-59(60)67)65-51(45-21-7-5-8-22-45)30-20-31-52(65)46-23-9-6-10-24-46;/h5-39,41,44H,3-4H2,1-2H3;/q-2;/i5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,21D,22D,23D,24D,27D,28D,32D,33D
• InChIKey: PLEPDUDSFXEQIV-CJIGRISMSA-N
• XLogP: 15.92
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.31
LogP ≤ 5	15.92
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 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum?

The IUPAC name of 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum (CID 171610125) is 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum.

What is the SMILES notation for 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum?

The canonical SMILES for 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c4)c4ccccc4n5-c4cc(C(CC)CC)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum?

The InChIKey is PLEPDUDSFXEQIV-CJIGRISMSA-N. The full InChI is InChI=1S/C65H47N5O.Pt/c1-3-44(4-2)47-37-38-66-63(39-47)70-58-34-16-13-29-55(58)64-61(69-56-32-14-11-27-53(56)54-28-12-15-33-57(54)69)41-50(42-62(64)70)71-49-26-19-25-48(40-49)67-43-68(60-36-18-17-35-59(60)67)65-51(45-21-7-5-8-22-45)30-20-31-52(65)46-23-9-6-10-24-46;/h5-39,41,44H,3-4H2,1-2H3;/q-2;/i5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,21D,22D,23D,24D,27D,28D,32D,33D;.

What are the key properties of 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum?

9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum has a molecular weight of 1127.31 g/mol, XLogP of 15.92, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-id-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole;platinum is sourced from PubChem (CID 171610125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).