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

C67H69N4OPt-3 — CID 162448917

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

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 162448917) has the molecular formula C67H69N4OPt-3 and a molecular weight of 1141.39 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 162448917
• Molecular Formula: C67H69N4OPt-3
• Molecular Weight: 1141.39 g/mol
• Exact Mass: 1140.51
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1.[Pt]
• InChI: InChI=1S/C67H69N4O.Pt/c1-63(2,3)47-31-32-68-62(40-47)71-58-29-25-45(44-21-17-15-18-22-44)33-57(58)56-28-27-54(42-60(56)71)72-55-38-51(66(10,11)12)37-53(41-55)69-43-70(52-35-49(64(4,5)6)34-50(36-52)65(7,8)9)61-39-48(26-30-59(61)69)67(13,14)46-23-19-16-20-24-46;/h15-40,43H,1-14H3;/q-3
• InChIKey: UIPJCJVZEPGWIO-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.39
LogP ≤ 5	18.16
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-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (CID 162448917) is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1.[Pt].

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

The InChIKey is UIPJCJVZEPGWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69N4O.Pt/c1-63(2,3)47-31-32-68-62(40-47)71-58-29-25-45(44-21-17-15-18-22-44)33-57(58)56-28-27-54(42-60(56)71)72-55-38-51(66(10,11)12)37-53(41-55)69-43-70(52-35-49(64(4,5)6)34-50(36-52)65(7,8)9)61-39-48(26-30-59(61)69)67(13,14)46-23-19-16-20-24-46;/h15-40,43H,1-14H3;/q-3;.

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

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1141.39 g/mol, XLogP of 18.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).