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

C81H63N4OPt-3 — CID 172545872

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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 172545872) has the molecular formula C81H63N4OPt-3 and a molecular weight of 1303.50 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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 172545872
• Molecular Formula: C81H63N4OPt-3
• Molecular Weight: 1303.50 g/mol
• Exact Mass: 1302.47
• 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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6)c(-c6ccccc6)cc5c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1.[Pt]
• InChI: InChI=1S/C81H63N4O.Pt/c1-79(2,3)57-41-43-58(44-42-57)81(70-36-19-16-33-63(70)64-34-17-20-37-71(64)81)59-45-46-82-77(49-59)85-72-38-21-18-35-65(72)69-51-66(54-25-10-7-11-26-54)76(52-75(69)85)86-62-32-24-31-61(50-62)83-53-84(74-40-23-22-39-73(74)83)78-67(55-27-12-8-13-28-55)47-60(80(4,5)6)48-68(78)56-29-14-9-15-30-56;/h7-49,51,53H,1-6H3;/q-3
• InChIKey: HFTCKQSGZHMCID-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1303.50
LogP ≤ 5	20.94
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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum (CID 172545872) 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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6)c(-c6ccccc6)cc5c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1.[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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is HFTCKQSGZHMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H63N4O.Pt/c1-79(2,3)57-41-43-58(44-42-57)81(70-36-19-16-33-63(70)64-34-17-20-37-71(64)81)59-45-46-82-77(49-59)85-72-38-21-18-35-65(72)69-51-66(54-25-10-7-11-26-54)76(52-75(69)85)86-62-32-24-31-61(50-62)83-53-84(74-40-23-22-39-73(74)83)78-67(55-27-12-8-13-28-55)47-60(80(4,5)6)48-68(78)56-29-14-9-15-30-56;/h7-49,51,53H,1-6H3;/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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1303.50 g/mol, XLogP of 20.94, 10 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-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]-3-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).