2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum

C89H79N4OPt-3 — CID 172545583

About 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 172545583) has the molecular formula C89H79N4OPt-3 and a molecular weight of 1415.72 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 172545583
• Molecular Formula: C89H79N4OPt-3
• Molecular Weight: 1415.72 g/mol
• Exact Mass: 1414.59
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(C(C)(C)C)cc(C2(c3cc(Oc4[c-]c5c(cc4)c4cccc(-c6ccccc6)c4n5-c4cc(C(C)(C)C)ccn4)[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)c3)c3ccccc3-c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C89H79N4O.Pt/c1-85(2,3)61-45-46-90-82(54-61)93-81-56-68(43-44-73(81)74-38-28-37-70(84(74)93)58-29-16-13-17-30-58)94-69-51-66(89(65-48-62(86(4,5)6)47-63(49-65)87(7,8)9)77-39-24-22-35-71(77)72-36-23-25-40-78(72)89)50-67(55-69)91-57-92(80-42-27-26-41-79(80)91)83-75(59-31-18-14-19-32-59)52-64(88(10,11)12)53-76(83)60-33-20-15-21-34-60;/h13-54,57H,1-12H3;/q-3
• InChIKey: QFALBBJYZZVUPK-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1415.72
LogP ≤ 5	23.53
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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum (CID 172545583) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(C(C)(C)C)cc(C2(c3cc(Oc4[c-]c5c(cc4)c4cccc(-c6ccccc6)c4n5-c4cc(C(C)(C)C)ccn4)[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is QFALBBJYZZVUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H79N4O.Pt/c1-85(2,3)61-45-46-90-82(54-61)93-81-56-68(43-44-73(81)74-38-28-37-70(84(74)93)58-29-16-13-17-30-58)94-69-51-66(89(65-48-62(86(4,5)6)47-63(49-65)87(7,8)9)77-39-24-22-35-71(77)72-36-23-25-40-78(72)89)50-67(55-69)91-57-92(80-42-27-26-41-79(80)91)83-75(59-31-18-14-19-32-59)52-64(88(10,11)12)53-76(83)60-33-20-15-21-34-60;/h13-54,57H,1-12H3;/q-3;.

What are the key properties of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum?

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1415.72 g/mol, XLogP of 23.53, 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]-5-[9-(3,5-ditert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).