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

C58H57N4OPt-3 — CID 162696384

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

2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162696384) has the molecular formula C58H57N4OPt-3 and a molecular weight of 1021.20 g/mol. Its IUPAC name is 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162696384
• Molecular Formula: C58H57N4OPt-3
• Molecular Weight: 1021.20 g/mol
• Exact Mass: 1020.42
• IUPAC Name: 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5ccccc5)CCCCC4)ccn3)[c-]c(N3[CH-]N(C)c4ccccc43)c2)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C58H57N4O.Pt/c1-38(2)41-32-50(39(3)4)57(51(33-41)40(5)6)42-30-45(61-37-60(7)53-22-14-15-23-54(53)61)35-47(31-42)63-46-24-25-49-48-20-12-13-21-52(48)62(55(49)36-46)56-34-44(26-29-59-56)58(27-16-9-17-28-58)43-18-10-8-11-19-43;/h8,10-15,18-26,29-34,37-40H,9,16-17,27-28H2,1-7H3;/q-3
• InChIKey: VZPRGWLVRXSFDE-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.20
LogP ≤ 5	15.56
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-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162696384) is 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5ccccc5)CCCCC4)ccn3)[c-]c(N3[CH-]N(C)c4ccccc43)c2)c(C(C)C)c1.[Pt].

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

The InChIKey is VZPRGWLVRXSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57N4O.Pt/c1-38(2)41-32-50(39(3)4)57(51(33-41)40(5)6)42-30-45(61-37-60(7)53-22-14-15-23-54(53)61)35-47(31-42)63-46-24-25-49-48-20-12-13-21-52(48)62(55(49)36-46)56-34-44(26-29-59-56)58(27-16-9-17-28-58)43-18-10-8-11-19-43;/h8,10-15,18-26,29-34,37-40H,9,16-17,27-28H2,1-7H3;/q-3;.

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

2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1021.20 g/mol, XLogP of 15.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-[4-(1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162696384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).