5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum

C60H41N7Pt-2 — CID 176781553

About 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum

5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum (PubChem CID 176781553) has the molecular formula C60H41N7Pt-2 and a molecular weight of 1065.18 g/mol. Its IUPAC name is 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum.

Molecular Properties

• Compound Name: 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum
• PubChem CID: 176781553
• Molecular Formula: C60H41N7Pt-2
• Molecular Weight: 1065.18 g/mol
• Exact Mass: 1064.37
• IUPAC Name: 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;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(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4cc(C#N)cc(C#N)c4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C60H41N7.Pt/c1-60(2,3)45-30-31-63-58(35-45)67-54-25-11-10-22-52(54)53-29-28-48(37-57(53)67)66(49-33-41(38-61)32-42(34-49)39-62)47-21-14-20-46(36-47)64-40-65(56-27-13-12-26-55(56)64)59-50(43-16-6-4-7-17-43)23-15-24-51(59)44-18-8-5-9-19-44;/h4-35H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,16D,17D,18D,19D
• InChIKey: FCKULCVNVRIIHG-KTNRDZRVSA-N
• XLogP: 13.64
• TPSA: 77.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.18
LogP ≤ 5	13.64
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 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum?

The IUPAC name of 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum (CID 176781553) is 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum.

What is the SMILES notation for 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum?

The canonical SMILES for 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;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(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4cc(C#N)cc(C#N)c4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum?

The InChIKey is FCKULCVNVRIIHG-KTNRDZRVSA-N. The full InChI is InChI=1S/C60H41N7.Pt/c1-60(2,3)45-30-31-63-58(35-45)67-54-25-11-10-22-52(54)53-29-28-48(37-57(53)67)66(49-33-41(38-61)32-42(34-49)39-62)47-21-14-20-46(36-47)64-40-65(56-27-13-12-26-55(56)64)59-50(43-16-6-4-7-17-43)23-15-24-51(59)44-18-8-5-9-19-44;/h4-35H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,16D,17D,18D,19D;.

What are the key properties of 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum?

5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum has a molecular weight of 1065.18 g/mol, XLogP of 13.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[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)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum is sourced from PubChem (CID 176781553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).