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

C73H65N4Pt-3 — CID 164701049

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

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum (PubChem CID 164701049) has the molecular formula C73H65N4Pt-3 and a molecular weight of 1207.51 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164701049
• Molecular Formula: C73H65N4Pt-3
• Molecular Weight: 1207.51 g/mol
• Exact Mass: 1206.58
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3C)c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(C(C)(C)c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4c(C)cc(C)cc4C)c3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C73H65N4.Pt/c1-46-38-48(3)67(49(4)39-46)54-40-57(73(10,11)56-34-35-61-60-30-20-21-31-62(60)77(65(61)43-56)66-44-55(36-37-74-66)72(7,8)9)42-58(41-54)75-45-76(64-33-23-22-32-63(64)75)71-69(52-25-14-12-15-26-52)50(5)68(59-29-19-18-24-47(59)2)51(6)70(71)53-27-16-13-17-28-53;/h12-41,44-45H,1-11H3;/q-3;/i12D,13D,14D,15D,16D,17D,18D,19D,24D,25D,26D,27D,28D,29D
• InChIKey: NMFYLUHGJBKUHN-XPQAWXFCSA-N
• XLogP: 19.33
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.51
LogP ≤ 5	19.33
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)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum (CID 164701049) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)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)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3C)c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(C(C)(C)c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4c(C)cc(C)cc4C)c3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is NMFYLUHGJBKUHN-XPQAWXFCSA-N. The full InChI is InChI=1S/C73H65N4.Pt/c1-46-38-48(3)67(49(4)39-46)54-40-57(73(10,11)56-34-35-61-60-30-20-21-31-62(60)77(65(61)43-56)66-44-55(36-37-74-66)72(7,8)9)42-58(41-54)75-45-76(64-33-23-22-32-63(64)75)71-69(52-25-14-12-15-26-52)50(5)68(59-29-19-18-24-47(59)2)51(6)70(71)53-27-16-13-17-28-53;/h12-41,44-45H,1-11H3;/q-3;/i12D,13D,14D,15D,16D,17D,18D,19D,24D,25D,26D,27D,28D,29D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 1207.51 g/mol, XLogP of 19.33, 9 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)-2-[2-[3-[3-[3,5-dimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164701049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).