1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum

C65H46N6OPt-2 — CID 177128745

About 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum

1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum (PubChem CID 177128745) has the molecular formula C65H46N6OPt-2 and a molecular weight of 1137.29 g/mol. Its IUPAC name is 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum.

Molecular Properties

• Compound Name: 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum
• PubChem CID: 177128745
• Molecular Formula: C65H46N6OPt-2
• Molecular Weight: 1137.29 g/mol
• Exact Mass: 1136.43
• IUPAC Name: 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc4c([c-]c2n3-c2cc(C(C)(C)C)ccn2)n(-c2[c-]c(-n3[c-][n+](-c5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc5-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5ccccc53)ccc2)c(=O)n4-c2ccccc2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C65H46N6O.Pt/c1-65(2,3)48-36-37-66-62(39-48)71-56-35-34-47(44-20-8-4-9-21-44)38-54(56)55-41-60-61(42-59(55)71)70(64(72)69(60)49-26-14-7-15-27-49)51-29-18-28-50(40-51)67-43-68(58-33-17-16-32-57(58)67)63-52(45-22-10-5-11-23-45)30-19-31-53(63)46-24-12-6-13-25-46;/h4-39,41H,1-3H3;/q-2;/i4D,5D,6D,8D,9D,10D,11D,12D,13D,20D,21D,22D,23D,24D,25D
• InChIKey: BDLKXZRUYPBDNO-UTCFCLSSSA-N
• XLogP: 14.19
• TPSA: 53.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.29
LogP ≤ 5	14.19
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 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum?

The IUPAC name of 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum (CID 177128745) is 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum.

What is the SMILES notation for 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum?

The canonical SMILES for 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc4c([c-]c2n3-c2cc(C(C)(C)C)ccn2)n(-c2[c-]c(-n3[c-][n+](-c5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc5-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5ccccc53)ccc2)c(=O)n4-c2ccccc2)c([2H])c1[2H].[Pt].

What is the InChIKey of 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum?

The InChIKey is BDLKXZRUYPBDNO-UTCFCLSSSA-N. The full InChI is InChI=1S/C65H46N6O.Pt/c1-65(2,3)48-36-37-66-62(39-48)71-56-35-34-47(44-20-8-4-9-21-44)38-54(56)55-41-60-61(42-59(55)71)70(64(72)69(60)49-26-14-7-15-27-49)51-29-18-28-50(40-51)67-43-68(58-33-17-16-32-57(58)67)63-52(45-22-10-5-11-23-45)30-19-31-53(63)46-24-12-6-13-25-46;/h4-39,41H,1-3H3;/q-2;/i4D,5D,6D,8D,9D,10D,11D,12D,13D,20D,21D,22D,23D,24D,25D;.

What are the key properties of 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum?

1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum has a molecular weight of 1137.29 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[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]-9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-3-phenyl-10H-imidazo[4,5-b]carbazol-10-id-2-one;platinum is sourced from PubChem (CID 177128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).