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

C66H59N4OPt-3 — CID 162449639

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

2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162449639) has the molecular formula C66H59N4OPt-3 and a molecular weight of 1119.30 g/mol. Its IUPAC name is 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162449639
• Molecular Formula: C66H59N4OPt-3
• Molecular Weight: 1119.30 g/mol
• Exact Mass: 1118.44
• IUPAC Name: 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C66H59N4O.Pt/c1-44(2)55-28-20-29-56(45(3)4)64(55)46-37-52(69-43-68(60-31-17-18-32-61(60)69)51-26-19-25-49(39-51)65(5,6)47-21-11-9-12-22-47)41-54(38-46)71-53-33-34-58-57-27-15-16-30-59(57)70(62(58)42-53)63-40-50(35-36-67-63)66(7,8)48-23-13-10-14-24-48;/h9-40,43-45H,1-8H3;/q-3
• InChIKey: IDYBDPPOIGFYBZ-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.30
LogP ≤ 5	17.54
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-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162449639) is 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1.[Pt].

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

The InChIKey is IDYBDPPOIGFYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59N4O.Pt/c1-44(2)55-28-20-29-56(45(3)4)64(55)46-37-52(69-43-68(60-31-17-18-32-61(60)69)51-26-19-25-49(39-51)65(5,6)47-21-11-9-12-22-47)41-54(38-46)71-53-33-34-58-57-27-15-16-30-59(57)70(62(58)42-53)63-40-50(35-36-67-63)66(7,8)48-23-13-10-14-24-48;/h9-40,43-45H,1-8H3;/q-3;.

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

2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1119.30 g/mol, XLogP of 17.54, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2,6-di(propan-2-yl)phenyl]-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).