9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum

C61H49N4Pt-3 — CID 164700962

About 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum (PubChem CID 164700962) has the molecular formula C61H49N4Pt-3 and a molecular weight of 1052.28 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164700962
• Molecular Formula: C61H49N4Pt-3
• Molecular Weight: 1052.28 g/mol
• Exact Mass: 1051.48
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(C)(C)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C61H49N4.Pt/c1-60(2,3)46-34-35-62-58(40-46)65-54-29-16-15-28-50(54)51-33-32-48(39-57(51)65)61(4,5)47-26-19-27-49(38-47)63-41-64(56-31-18-17-30-55(56)63)59-52(43-22-11-7-12-23-43)36-45(42-20-9-6-10-21-42)37-53(59)44-24-13-8-14-25-44;/h6-37,40-41H,1-5H3;/q-3;/i6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,20D,21D,22D,23D,24D,25D,28D,29D
• InChIKey: ZDJZTLPEAYSNFY-GNNNXJOXSA-N
• XLogP: 15.81
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.28
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum (CID 164700962) is 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(C)(C)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The InChIKey is ZDJZTLPEAYSNFY-GNNNXJOXSA-N. The full InChI is InChI=1S/C61H49N4.Pt/c1-60(2,3)46-34-35-62-58(40-46)65-54-29-16-15-28-50(54)51-33-32-48(39-57(51)65)61(4,5)47-26-19-27-49(38-47)63-41-64(56-31-18-17-30-55(56)63)59-52(43-22-11-7-12-23-43)36-45(42-20-9-6-10-21-42)37-53(59)44-24-13-8-14-25-44;/h6-37,40-41H,1-5H3;/q-3;/i6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,20D,21D,22D,23D,24D,25D,28D,29D;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 1052.28 g/mol, XLogP of 15.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[2-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164700962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).