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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C65H67N4OPt-3 — CID 162704367

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-(3,4,5-trimethylphenyl)-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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704367) has the molecular formula C65H67N4OPt-3 and a molecular weight of 1115.36 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-(3,4,5-trimethylphenyl)-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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162704367
• Molecular Formula: C65H67N4OPt-3
• Molecular Weight: 1115.36 g/mol
• Exact Mass: 1114.50
• 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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(C)c8ccccc87)cc(-c7c(C(C)C)cc(C(C)C)cc7C(C)C)c6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc(C)c1C.[Pt]
• InChI: InChI=1S/C65H67N4O.Pt/c1-38(2)46-32-57(39(3)4)64(58(33-46)40(5)6)47-30-52(68-37-67(10)60-17-13-14-18-61(60)68)35-54(31-47)70-53-19-20-56-55-15-11-12-16-59(55)69(62(56)36-53)63-34-48(21-22-66-63)65(49-23-41(7)43(9)42(8)24-49)50-26-44-25-45(28-50)29-51(65)27-44;/h11-24,30-34,37-40,44-45,50-51H,25-29H2,1-10H3;/q-3
• InChIKey: BIAHRDYSEZZCDR-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.36
LogP ≤ 5	16.98
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-[2-(3,4,5-trimethylphenyl)-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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704367) 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-(3,4,5-trimethylphenyl)-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-(3,4,5-trimethylphenyl)-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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1cc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(C)c8ccccc87)cc(-c7c(C(C)C)cc(C(C)C)cc7C(C)C)c6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc(C)c1C.[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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is BIAHRDYSEZZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H67N4O.Pt/c1-38(2)46-32-57(39(3)4)64(58(33-46)40(5)6)47-30-52(68-37-67(10)60-17-13-14-18-61(60)68)35-54(31-47)70-53-19-20-56-55-15-11-12-16-59(55)69(62(56)36-53)63-34-48(21-22-66-63)65(49-23-41(7)43(9)42(8)24-49)50-26-44-25-45(28-50)29-51(65)27-44;/h11-24,30-34,37-40,44-45,50-51H,25-29H2,1-10H3;/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-(3,4,5-trimethylphenyl)-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-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1115.36 g/mol, XLogP of 16.98, 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-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).