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

C74H83N4OPt-3 — CID 162448199

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

6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162448199) has the molecular formula C74H83N4OPt-3 and a molecular weight of 1239.58 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162448199
• Molecular Formula: C74H83N4OPt-3
• Molecular Weight: 1239.58 g/mol
• Exact Mass: 1238.62
• IUPAC Name: 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C74H83N4O.Pt/c1-68(2,3)50-30-33-63-60(41-50)59-32-31-57(44-64(59)78(63)67-42-51(34-35-75-67)73(16,17)48-26-22-20-23-27-48)79-58-40-54(74(18,19)49-28-24-21-25-29-49)39-56(43-58)77-47-76(55-37-52(69(4,5)6)36-53(38-55)70(7,8)9)65-45-61(71(10,11)12)62(46-66(65)77)72(13,14)15;/h20-42,45-47H,1-19H3;/q-3
• InChIKey: RAKNFNNPPQTNLZ-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1239.58
LogP ≤ 5	20.12
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 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162448199) is 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is RAKNFNNPPQTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H83N4O.Pt/c1-68(2,3)50-30-33-63-60(41-50)59-32-31-57(44-64(59)78(63)67-42-51(34-35-75-67)73(16,17)48-26-22-20-23-27-48)79-58-40-54(74(18,19)49-28-24-21-25-29-49)39-56(43-58)77-47-76(55-37-52(69(4,5)6)36-53(38-55)70(7,8)9)65-45-61(71(10,11)12)62(46-66(65)77)72(13,14)15;/h20-42,45-47H,1-19H3;/q-3;.

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

6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1239.58 g/mol, XLogP of 20.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).