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

C79H67N4OPt-3 — CID 172545961

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 172545961) has the molecular formula C79H67N4OPt-3 and a molecular weight of 1283.51 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 172545961
• Molecular Formula: C79H67N4OPt-3
• Molecular Weight: 1283.51 g/mol
• Exact Mass: 1282.50
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(C(C)(C)C)cc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6)ccc5c5ccccc54)c3)c3ccccc3-c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C79H67N4O.Pt/c1-76(2,3)55-43-56(77(4,5)6)45-58(44-55)79(68-34-19-16-31-62(68)63-32-17-20-35-69(63)79)54-41-42-80-74(48-54)83-70-36-21-18-33-64(70)65-40-39-61(50-73(65)83)84-60-30-24-29-59(49-60)81-51-82(72-38-23-22-37-71(72)81)75-66(52-25-12-10-13-26-52)46-57(78(7,8)9)47-67(75)53-27-14-11-15-28-53;/h10-48,51H,1-9H3;/q-3
• InChIKey: WYLOGDIZFXGEKM-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.51
LogP ≤ 5	20.57
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 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 172545961) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(C(C)(C)C)cc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6)ccc5c5ccccc54)c3)c3ccccc3-c3ccccc32)c1.[Pt].

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

The InChIKey is WYLOGDIZFXGEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H67N4O.Pt/c1-76(2,3)55-43-56(77(4,5)6)45-58(44-55)79(68-34-19-16-31-62(68)63-32-17-20-35-69(63)79)54-41-42-80-74(48-54)83-70-36-21-18-33-64(70)65-40-39-61(50-73(65)83)84-60-30-24-29-59(49-60)81-51-82(72-38-23-22-37-71(72)81)75-66(52-25-12-10-13-26-52)46-57(78(7,8)9)47-67(75)53-27-14-11-15-28-53;/h10-48,51H,1-9H3;/q-3;.

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1283.51 g/mol, XLogP of 20.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).