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

C68H61N4OPt-3 — CID 162704447

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

2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704447) has the molecular formula C68H61N4OPt-3 and a molecular weight of 1145.34 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162704447
• Molecular Formula: C68H61N4OPt-3
• Molecular Weight: 1145.34 g/mol
• Exact Mass: 1144.45
• IUPAC Name: 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C3(c4ccccc4)C(C)(C)CCCC3(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C68H61N4O.Pt/c1-65(2,3)51-41-52(70-46-71(61-34-20-19-33-60(61)70)64-55(47-23-11-8-12-24-47)30-21-31-56(64)48-25-13-9-14-26-48)44-54(42-51)73-53-35-36-58-57-29-17-18-32-59(57)72(62(58)45-53)63-43-50(37-40-69-63)68(49-27-15-10-16-28-49)66(4,5)38-22-39-67(68,6)7;/h8-21,23-37,40-43,46H,22,38-39H2,1-7H3;/q-3
• InChIKey: FWXRJLGUGKVXPP-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.34
LogP ≤ 5	18.13
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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704447) is 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C3(c4ccccc4)C(C)(C)CCCC3(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.[Pt].

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

The InChIKey is FWXRJLGUGKVXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H61N4O.Pt/c1-65(2,3)51-41-52(70-46-71(61-34-20-19-33-60(61)70)64-55(47-23-11-8-12-24-47)30-21-31-56(64)48-25-13-9-14-26-48)44-54(42-51)73-53-35-36-58-57-29-17-18-32-59(57)72(62(58)45-53)63-43-50(37-40-69-63)68(49-27-15-10-16-28-49)66(4,5)38-22-39-67(68,6)7;/h8-21,23-37,40-43,46H,22,38-39H2,1-7H3;/q-3;.

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

2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1145.34 g/mol, XLogP of 18.13, 9 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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).