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

C76H61N4OPt-3 — CID 172545693

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

9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172545693) has the molecular formula C76H61N4OPt-3 and a molecular weight of 1243.44 g/mol. Its IUPAC name is 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172545693
• Molecular Formula: C76H61N4OPt-3
• Molecular Weight: 1243.44 g/mol
• Exact Mass: 1242.46
• IUPAC Name: 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-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(C5(c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccn4)ccc3)c3ccccc32)c(-c2ccccc2)c1)C(C)(C)C.[Pt]
• InChI: InChI=1S/C76H61N4O.Pt/c1-74(2,3)49-51-44-64(52-22-9-7-10-23-52)73(65(45-51)53-24-11-8-12-25-53)79-50-78(69-34-19-20-35-70(69)79)57-26-21-27-58(47-57)81-59-40-41-63-62-30-15-18-33-68(62)80(71(63)48-59)72-46-56(42-43-77-72)76(55-38-36-54(37-39-55)75(4,5)6)66-31-16-13-28-60(66)61-29-14-17-32-67(61)76;/h7-46,50H,49H2,1-6H3;/q-3;/i49D2
• InChIKey: TULJNXAOFZDUPG-GYFNQSMPSA-N
• XLogP: 19.56
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1243.44
LogP ≤ 5	19.56
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-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172545693) is 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-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-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-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(C5(c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccn4)ccc3)c3ccccc32)c(-c2ccccc2)c1)C(C)(C)C.[Pt].

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

The InChIKey is TULJNXAOFZDUPG-GYFNQSMPSA-N. The full InChI is InChI=1S/C76H61N4O.Pt/c1-74(2,3)49-51-44-64(52-22-9-7-10-23-52)73(65(45-51)53-24-11-8-12-25-53)79-50-78(69-34-19-20-35-70(69)79)57-26-21-27-58(47-57)81-59-40-41-63-62-30-15-18-33-68(62)80(71(63)48-59)72-46-56(42-43-77-72)76(55-38-36-54(37-39-55)75(4,5)6)66-31-16-13-28-60(66)61-29-14-17-32-67(61)76;/h7-46,50H,49H2,1-6H3;/q-3;/i49D2;.

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

9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1243.44 g/mol, XLogP of 19.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-2-[3-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2,6-diphenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).