9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C71H59N4OPt-3 — CID 172545634

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172545634) has the molecular formula C71H59N4OPt-3 and a molecular weight of 1181.37 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172545634
• Molecular Formula: C71H59N4OPt-3
• Molecular Weight: 1181.37 g/mol
• Exact Mass: 1180.45
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])(c1cc(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C4(C)c5ccccc5-c5ccccc54)c3)c3ccccc32)c(-c2ccccc2)c1)C(C)(C)C.[Pt]
• InChI: InChI=1S/C71H59N4O.Pt/c1-69(2,3)45-47-38-59(48-22-10-8-11-23-48)68(60(39-47)49-24-12-9-13-25-49)74-46-73(64-32-20-21-33-65(64)74)52-40-51(71(7)61-29-17-14-26-55(61)56-27-15-18-30-62(56)71)41-54(43-52)76-53-34-35-58-57-28-16-19-31-63(57)75(66(58)44-53)67-42-50(36-37-72-67)70(4,5)6;/h8-42,46H,45H2,1-7H3;/q-3;/i45D2
• InChIKey: GHRZTBPXKOYTTL-KUOPHTEJSA-N
• XLogP: 18.53
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1181.37
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172545634) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])(c1cc(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C4(C)c5ccccc5-c5ccccc54)c3)c3ccccc32)c(-c2ccccc2)c1)C(C)(C)C.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is GHRZTBPXKOYTTL-KUOPHTEJSA-N. The full InChI is InChI=1S/C71H59N4O.Pt/c1-69(2,3)45-47-38-59(48-22-10-8-11-23-48)68(60(39-47)49-24-12-9-13-25-49)74-46-73(64-32-20-21-33-65(64)74)52-40-51(71(7)61-29-17-14-26-55(61)56-27-15-18-30-62(56)71)41-54(43-52)76-53-34-35-58-57-28-16-19-31-63(57)75(66(58)44-53)67-42-50(36-37-72-67)70(4,5)6;/h8-42,46H,45H2,1-7H3;/q-3;/i45D2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1181.37 g/mol, XLogP of 18.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).