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

C46H32F3N4OPt-3 — CID 164726847

IUPAC2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCc1cc(C)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)c(-c5cccc(C(F)(F)F)c5)cn4)ccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C46H32F3N4O.Pt/c1-29-20-30(2)22-35(21-29)52-28-51(42-16-6-7-17-43(42)52)34-12-9-13-36(25-34)54-37-18-19-39-38-14-4-5-15-41(38)53(44(39)26-37)45-23-31(3)40(27-50-45)32-10-8-11-33(24-32)46(47,48)49;/h4-24,27-28H,1-3H3;/q-3;
InChIKeyIKJUAIPDGHVQQN-UHFFFAOYSA-N
MW908.86 g/mol
LogP12.59
Rot. Bonds6

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

2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164726847) has the molecular formula C46H32F3N4OPt-3 and a molecular weight of 908.86 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID164726847
Molecular FormulaC46H32F3N4OPt-3
Molecular Weight908.86 g/mol
Exact Mass908.22
IUPAC Name2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCc1cc(C)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)c(-c5cccc(C(F)(F)F)c5)cn4)ccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C46H32F3N4O.Pt/c1-29-20-30(2)22-35(21-29)52-28-51(42-16-6-7-17-43(42)52)34-12-9-13-36(25-34)54-37-18-19-39-38-14-4-5-15-41(38)53(44(39)26-37)45-23-31(3)40(27-50-45)32-10-8-11-33(24-32)46(47,48)49;/h4-24,27-28H,1-3H3;/q-3;
InChIKeyIKJUAIPDGHVQQN-UHFFFAOYSA-N
XLogP12.59
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.86
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164726847) is 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1cc(C)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)c(-c5cccc(C(F)(F)F)c5)cn4)ccc3)c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is IKJUAIPDGHVQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F3N4O.Pt/c1-29-20-30(2)22-35(21-29)52-28-51(42-16-6-7-17-43(42)52)34-12-9-13-36(25-34)54-37-18-19-39-38-14-4-5-15-41(38)53(44(39)26-37)45-23-31(3)40(27-50-45)32-10-8-11-33(24-32)46(47,48)49;/h4-24,27-28H,1-3H3;/q-3;.
What are the key properties of 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 908.86 g/mol, XLogP of 12.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164726847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).