9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum

C59H36N6OPt-2 — CID 176797868

About 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum

9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum (PubChem CID 176797868) has the molecular formula C59H36N6OPt-2 and a molecular weight of 1050.12 g/mol. Its IUPAC name is 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum.

Molecular Properties

• Compound Name: 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum
• PubChem CID: 176797868
• Molecular Formula: C59H36N6OPt-2
• Molecular Weight: 1050.12 g/mol
• Exact Mass: 1049.32
• IUPAC Name: 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;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(cc4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6cccnc65)cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C59H36N6O.Pt/c1-3-16-40(17-4-1)46-24-14-25-47(41-18-5-2-6-19-41)58(46)63-39-62(54-29-11-12-30-55(54)63)42-20-13-21-44(36-42)66-45-32-33-50-48-22-7-10-28-53(48)65(56(50)37-45)57-34-31-43(38-61-57)64-52-27-9-8-23-49(52)51-26-15-35-60-59(51)64;/h1-35,38H;/q-2;/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D
• InChIKey: LQCQTBFSXUDLLA-QAPKPODZSA-N
• XLogP: 13.42
• TPSA: 53.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1050.12
LogP ≤ 5	13.42
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 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum?

The IUPAC name of 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum (CID 176797868) is 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum.

What is the SMILES notation for 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum?

The canonical SMILES for 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;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(cc4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6cccnc65)cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum?

The InChIKey is LQCQTBFSXUDLLA-QAPKPODZSA-N. The full InChI is InChI=1S/C59H36N6O.Pt/c1-3-16-40(17-4-1)46-24-14-25-47(41-18-5-2-6-19-41)58(46)63-39-62(54-29-11-12-30-55(54)63)42-20-13-21-44(36-42)66-45-32-33-50-48-22-7-10-28-53(48)65(56(50)37-45)57-34-31-43(38-61-57)64-52-27-9-8-23-49(52)51-26-15-35-60-59(51)64;/h1-35,38H;/q-2;/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D;.

What are the key properties of 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum?

9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum has a molecular weight of 1050.12 g/mol, XLogP of 13.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[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-1H-carbazol-1-id-9-yl]-3-pyridinyl]pyrido[2,3-b]indole;platinum is sourced from PubChem (CID 176797868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).