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

C72H75N4OPt-3 — CID 164795016

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

2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 164795016) has the molecular formula C72H75N4OPt-3 and a molecular weight of 1207.50 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 164795016
• Molecular Formula: C72H75N4OPt-3
• Molecular Weight: 1207.50 g/mol
• Exact Mass: 1206.56
• IUPAC Name: 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC1(C)CC(C)(C)CC(c2ccccc2)(c2cccc(C3(c4ccccc4)CC(C)(C)CC(C)(C)C3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)C1.[Pt]
• InChI: InChI=1S/C72H75N4O.Pt/c1-66(2,3)52-38-39-73-64(40-52)76-60-33-19-18-30-56(60)57-37-36-55(42-63(57)76)77-54-29-22-28-53(41-54)74-49-75(62-35-21-20-34-61(62)74)65-58(71(50-24-14-12-15-25-50)45-67(4,5)43-68(6,7)46-71)31-23-32-59(65)72(51-26-16-13-17-27-51)47-69(8,9)44-70(10,11)48-72;/h12-40,49H,43-48H2,1-11H3;/q-3
• InChIKey: DBIMJDXBMCRJQL-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.50
LogP ≤ 5	19.32
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-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 164795016) is 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-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-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC1(C)CC(C)(C)CC(c2ccccc2)(c2cccc(C3(c4ccccc4)CC(C)(C)CC(C)(C)C3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)C1.[Pt].

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

The InChIKey is DBIMJDXBMCRJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H75N4O.Pt/c1-66(2,3)52-38-39-73-64(40-52)76-60-33-19-18-30-56(60)57-37-36-55(42-63(57)76)77-54-29-22-28-53(41-54)74-49-75(62-35-21-20-34-61(62)74)65-58(71(50-24-14-12-15-25-50)45-67(4,5)43-68(6,7)46-71)31-23-32-59(65)72(51-26-16-13-17-27-51)47-69(8,9)44-70(10,11)48-72;/h12-40,49H,43-48H2,1-11H3;/q-3;.

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

2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1207.50 g/mol, XLogP of 19.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(3,3,5,5-tetramethyl-1-phenylcyclohexyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164795016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).