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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum

C63H44N6OPt-2 — CID 176797988

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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum (PubChem CID 176797988) has the molecular formula C63H44N6OPt-2 and a molecular weight of 1106.23 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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum
• PubChem CID: 176797988
• Molecular Formula: C63H44N6OPt-2
• Molecular Weight: 1106.23 g/mol
• Exact Mass: 1105.39
• 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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]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(c(-n6c7ccccc7c7cccnc76)c4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C63H44N6O.Pt/c1-63(2,3)44-34-36-64-59(37-44)68-54-31-13-11-26-52(54)60-57(68)39-47(40-58(60)69-53-30-12-10-25-50(53)51-29-18-35-65-62(51)69)70-46-24-16-23-45(38-46)66-41-67(56-33-15-14-32-55(56)66)61-48(42-19-6-4-7-20-42)27-17-28-49(61)43-21-8-5-9-22-43;/h4-37,40H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,19D,20D,21D,22D
• InChIKey: RQMAYSAWZIPRCK-CFRWEKGKSA-N
• XLogP: 14.71
• TPSA: 53.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.23
LogP ≤ 5	14.71
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-[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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum (CID 176797988) 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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]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(c(-n6c7ccccc7c7cccnc76)c4)c4ccccc4n5-c4cc(C(C)(C)C)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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum?

The InChIKey is RQMAYSAWZIPRCK-CFRWEKGKSA-N. The full InChI is InChI=1S/C63H44N6O.Pt/c1-63(2,3)44-34-36-64-59(37-44)68-54-31-13-11-26-52(54)60-57(68)39-47(40-58(60)69-53-30-12-10-25-50(53)51-29-18-35-65-62(51)69)70-46-24-16-23-45(38-46)66-41-67(56-33-15-14-32-55(56)66)61-48(42-19-6-4-7-20-42)27-17-28-49(61)43-21-8-5-9-22-43;/h4-37,40H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,19D,20D,21D,22D;.

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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum has a molecular weight of 1106.23 g/mol, XLogP of 14.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-4-yl]pyrido[2,3-b]indole;platinum is sourced from PubChem (CID 176797988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).