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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C61H60N5OPt-3 — CID 162696219

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-(2-pyridin-4-yl-2-adamantyl)-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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162696219) has the molecular formula C61H60N5OPt-3 and a molecular weight of 1074.26 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-(2-pyridin-4-yl-2-adamantyl)-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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162696219
• Molecular Formula: C61H60N5OPt-3
• Molecular Weight: 1074.26 g/mol
• Exact Mass: 1073.45
• 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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5ccncc5)C5CC6CC(C5)CC4C6)ccn3)[c-]c(N3[CH-]N(C)c4ccccc43)c2)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C61H60N5O.Pt/c1-37(2)42-31-53(38(3)4)60(54(32-42)39(5)6)43-29-48(65-36-64(7)56-14-10-11-15-57(56)65)34-50(30-43)67-49-16-17-52-51-12-8-9-13-55(51)66(58(52)35-49)59-33-45(20-23-63-59)61(44-18-21-62-22-19-44)46-25-40-24-41(27-46)28-47(61)26-40;/h8-23,29-33,36-41,46-47H,24-28H2,1-7H3;/q-3
• InChIKey: WXYDQVGBRDNWQG-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.26
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(2-pyridin-4-yl-2-adamantyl)-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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162696219) 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-(2-pyridin-4-yl-2-adamantyl)-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-(2-pyridin-4-yl-2-adamantyl)-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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5ccncc5)C5CC6CC(C5)CC4C6)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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is WXYDQVGBRDNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N5O.Pt/c1-37(2)42-31-53(38(3)4)60(54(32-42)39(5)6)43-29-48(65-36-64(7)56-14-10-11-15-57(56)65)34-50(30-43)67-49-16-17-52-51-12-8-9-13-55(51)66(58(52)35-49)59-33-45(20-23-63-59)61(44-18-21-62-22-19-44)46-25-40-24-41(27-46)28-47(61)26-40;/h8-23,29-33,36-41,46-47H,24-28H2,1-7H3;/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-(2-pyridin-4-yl-2-adamantyl)-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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1074.26 g/mol, XLogP of 15.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2-pyridin-4-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162696219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).