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

C68H45N6OPt-3 — CID 169289154

About 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289154) has the molecular formula C68H45N6OPt-3 and a molecular weight of 1160.25 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289154
• Molecular Formula: C68H45N6OPt-3
• Molecular Weight: 1160.25 g/mol
• Exact Mass: 1159.35
• IUPAC Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)c(-c5c(-n6c7ccccc7c7ccccc76)cccc5-n5c6ccccc6c6ccccc65)cn4)ccc3)c3ccccc32)cc1.[Pt]
• InChI: InChI=1S/C68H45N6O.Pt/c1-44-33-35-46(36-34-44)70-43-71(63-30-14-13-29-62(63)70)47-17-15-18-48(40-47)75-49-37-38-55-54-23-7-12-28-61(54)74(66(55)41-49)67-39-45(2)56(42-69-67)68-64(72-57-24-8-3-19-50(57)51-20-4-9-25-58(51)72)31-16-32-65(68)73-59-26-10-5-21-52(59)53-22-6-11-27-60(53)73;/h3-39,42-43H,1-2H3;/q-3;/i1D3
• InChIKey: VWPABOJFAICOGG-NIIDSAIPSA-N
• XLogP: 17.46
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1160.25
LogP ≤ 5	17.46
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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289154) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1ccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)c(-c5c(-n6c7ccccc7c7ccccc76)cccc5-n5c6ccccc6c6ccccc65)cn4)ccc3)c3ccccc32)cc1.[Pt].

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

The InChIKey is VWPABOJFAICOGG-NIIDSAIPSA-N. The full InChI is InChI=1S/C68H45N6O.Pt/c1-44-33-35-46(36-34-44)70-43-71(63-30-14-13-29-62(63)70)47-17-15-18-48(40-47)75-49-37-38-55-54-23-7-12-28-61(54)74(66(55)41-49)67-39-45(2)56(42-69-67)68-64(72-57-24-8-3-19-50(57)51-20-4-9-25-58(51)72)31-16-32-65(68)73-59-26-10-5-21-52(59)53-22-6-11-27-60(53)73;/h3-39,42-43H,1-2H3;/q-3;/i1D3;.

What are the key properties of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1160.25 g/mol, XLogP of 17.46, 9 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-methyl-2-pyridinyl]-2-[3-[3-[4-(trideuteriomethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).