9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum

C78H67N4OPt-3 — CID 168780812

About 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum (PubChem CID 168780812) has the molecular formula C78H67N4OPt-3 and a molecular weight of 1271.50 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 168780812
• Molecular Formula: C78H67N4OPt-3
• Molecular Weight: 1271.50 g/mol
• Exact Mass: 1270.50
• IUPAC Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8ccccc8)cccc7-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc5)c(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C78H67N4O.Pt/c1-76(2,3)58-40-35-55(36-41-58)63-32-22-31-62(53-25-15-11-16-26-53)75(63)81-51-80(70-33-19-20-34-71(70)81)60-29-21-30-61(46-60)83-73-49-72-66(47-64(73)54-27-17-12-18-28-54)65-45-57(52-23-13-10-14-24-52)39-44-69(65)82(72)74-48-68(78(7,8)9)67(50-79-74)56-37-42-59(43-38-56)77(4,5)6;/h10-45,47-48,50-51H,1-9H3;/q-3
• InChIKey: HXWCWVPFWYQGDP-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1271.50
LogP ≤ 5	21.21
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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum (CID 168780812) is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8ccccc8)cccc7-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc5)c(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2C(C)(C)C)cc1.[Pt].

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

The InChIKey is HXWCWVPFWYQGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H67N4O.Pt/c1-76(2,3)58-40-35-55(36-41-58)63-32-22-31-62(53-25-15-11-16-26-53)75(63)81-51-80(70-33-19-20-34-71(70)81)60-29-21-30-61(46-60)83-73-49-72-66(47-64(73)54-27-17-12-18-28-54)65-45-57(52-23-13-10-14-24-52)39-44-69(65)82(72)74-48-68(78(7,8)9)67(50-79-74)56-37-42-59(43-38-56)77(4,5)6;/h10-45,47-48,50-51H,1-9H3;/q-3;.

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

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1271.50 g/mol, XLogP of 21.21, 10 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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).