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

C62H41N6OPt-3 — CID 169289030

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

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289030) has the molecular formula C62H41N6OPt-3 and a molecular weight of 1084.15 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289030
• Molecular Formula: C62H41N6OPt-3
• Molecular Weight: 1084.15 g/mol
• Exact Mass: 1083.32
• IUPAC Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C62H41N6O.Pt/c1-40-35-61(68-55-28-12-7-23-48(55)49-34-33-43(37-60(49)68)69-42-18-15-17-41(36-42)65-39-64(2)56-29-13-14-30-57(56)65)63-38-50(40)62-58(66-51-24-8-3-19-44(51)45-20-4-9-25-52(45)66)31-16-32-59(62)67-53-26-10-5-21-46(53)47-22-6-11-27-54(47)67;/h3-35,38-39H,1-2H3;/q-3;/i1D3
• InChIKey: QZCFGPGMRRZUIZ-NIIDSAIPSA-N
• XLogP: 15.45
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.15
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289030) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].

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

The InChIKey is QZCFGPGMRRZUIZ-NIIDSAIPSA-N. The full InChI is InChI=1S/C62H41N6O.Pt/c1-40-35-61(68-55-28-12-7-23-48(55)49-34-33-43(37-60(49)68)69-42-18-15-17-41(36-42)65-39-64(2)56-29-13-14-30-57(56)65)63-38-50(40)62-58(66-51-24-8-3-19-44(51)45-20-4-9-25-52(45)66)31-16-32-59(62)67-53-26-10-5-21-46(53)47-22-6-11-27-54(47)67;/h3-35,38-39H,1-2H3;/q-3;/i1D3;.

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

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1084.15 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).