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

C48H36F3N4OPt-3 — CID 164727100

IUPAC2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-propan-2-yl-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)C)c(-c5cccc(C(F)(F)F)c5)cn4)ccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C48H36F3N4O.Pt/c1-30(2)41-27-47(52-28-42(41)33-11-9-12-34(24-33)48(49,50)51)55-43-16-6-5-15-39(43)40-20-19-38(26-46(40)55)56-37-14-10-13-35(25-37)53-29-54(45-18-8-7-17-44(45)53)36-22-31(3)21-32(4)23-36;/h5-24,27-30H,1-4H3;/q-3;
InChIKeyCCMKPABHTPKXFN-UHFFFAOYSA-N
MW936.92 g/mol
LogP13.40
Rot. Bonds7

About 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-propan-2-yl-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-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164727100) has the molecular formula C48H36F3N4OPt-3 and a molecular weight of 936.92 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-propan-2-yl-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-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID164727100
Molecular FormulaC48H36F3N4OPt-3
Molecular Weight936.92 g/mol
Exact Mass936.25
IUPAC Name2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-propan-2-yl-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)C)c(-c5cccc(C(F)(F)F)c5)cn4)ccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C48H36F3N4O.Pt/c1-30(2)41-27-47(52-28-42(41)33-11-9-12-34(24-33)48(49,50)51)55-43-16-6-5-15-39(43)40-20-19-38(26-46(40)55)56-37-14-10-13-35(25-37)53-29-54(45-18-8-7-17-44(45)53)36-22-31(3)21-32(4)23-36;/h5-24,27-30H,1-4H3;/q-3;
InChIKeyCCMKPABHTPKXFN-UHFFFAOYSA-N
XLogP13.40
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.92
LogP ≤ 513.40
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-propan-2-yl-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-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164727100) is 2-[3-[3-(3,5-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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)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-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is CCMKPABHTPKXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36F3N4O.Pt/c1-30(2)41-27-47(52-28-42(41)33-11-9-12-34(24-33)48(49,50)51)55-43-16-6-5-15-39(43)40-20-19-38(26-46(40)55)56-37-14-10-13-35(25-37)53-29-54(45-18-8-7-17-44(45)53)36-22-31(3)21-32(4)23-36;/h5-24,27-30H,1-4H3;/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-propan-2-yl-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-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 936.92 g/mol, XLogP of 13.40, 7 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-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).