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

C72H61N4OPt-3 — CID 176756887

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

9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176756887) has the molecular formula C72H61N4OPt-3 and a molecular weight of 1197.41 g/mol. Its IUPAC name is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176756887
• Molecular Formula: C72H61N4OPt-3
• Molecular Weight: 1197.41 g/mol
• Exact Mass: 1196.48
• IUPAC Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c(-c2ccccc2)c([2H])c(-c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)c1[2H].[Pt]
• InChI: InChI=1S/C72H61N4O.Pt/c1-70(2,3)62-45-68(73-46-60(62)49-23-12-9-13-24-49)76-64-32-15-14-29-58(64)59-37-36-55(44-67(59)76)77-54-28-19-27-53(43-54)74-47-75(66-34-17-16-33-65(66)74)69-56(51-26-18-25-50(41-51)48-21-10-8-11-22-48)30-20-31-57(69)52-35-38-61-63(42-52)72(6,7)40-39-71(61,4)5;/h8-38,41-42,45-47H,39-40H2,1-7H3;/q-3;/i18D,25D,26D,41D
• InChIKey: YQPCJMQBZVDFDO-DDKWJVSCSA-N
• XLogP: 19.29
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.41
LogP ≤ 5	19.29
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-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176756887) is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c(-c2ccccc2)c([2H])c(-c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)c1[2H].[Pt].

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

The InChIKey is YQPCJMQBZVDFDO-DDKWJVSCSA-N. The full InChI is InChI=1S/C72H61N4O.Pt/c1-70(2,3)62-45-68(73-46-60(62)49-23-12-9-13-24-49)76-64-32-15-14-29-58(64)59-37-36-55(44-67(59)76)77-54-28-19-27-53(43-54)74-47-75(66-34-17-16-33-65(66)74)69-56(51-26-18-25-50(41-51)48-21-10-8-11-22-48)30-20-31-57(69)52-35-38-61-63(42-52)72(6,7)40-39-71(61,4)5;/h8-38,41-42,45-47H,39-40H2,1-7H3;/q-3;/i18D,25D,26D,41D;.

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

9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1197.41 g/mol, XLogP of 19.29, 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-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176756887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).