2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C61H65N4OPt-3 — CID 162449702

About 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162449702) has the molecular formula C61H65N4OPt-3 and a molecular weight of 1065.30 g/mol. Its IUPAC name is 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162449702
• Molecular Formula: C61H65N4OPt-3
• Molecular Weight: 1065.30 g/mol
• Exact Mass: 1064.48
• IUPAC Name: 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)ccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C61H65N4O.Pt/c1-57(2,3)41-24-27-53-55(35-41)64(39-63(53)46-31-43(59(7,8)9)30-44(32-46)60(10,11)12)47-33-45(61(13,14)40-20-16-15-17-21-40)34-49(37-47)66-48-25-26-51-50-22-18-19-23-52(50)65(54(51)38-48)56-36-42(28-29-62-56)58(4,5)6;/h15-36,39H,1-14H3;/q-3
• InChIKey: DJLCNSHLIFTFTG-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.30
LogP ≤ 5	16.49
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-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162449702) is 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)ccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is DJLCNSHLIFTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H65N4O.Pt/c1-57(2,3)41-24-27-53-55(35-41)64(39-63(53)46-31-43(59(7,8)9)30-44(32-46)60(10,11)12)47-33-45(61(13,14)40-20-16-15-17-21-40)34-49(37-47)66-48-25-26-51-50-22-18-19-23-52(50)65(54(51)38-48)56-36-42(28-29-62-56)58(4,5)6;/h15-36,39H,1-14H3;/q-3;.

What are the key properties of 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1065.30 g/mol, XLogP of 16.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-tert-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).