7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole

C44H29FN2O — CID 171435999

IUPAC7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(-c3nc4cccc(F)c4n3-c3ccc(-c4ccccc4)cc3)c3oc4cc(-c5ccccc5)ccc4c23)cc1
InChIInChI=1S/C44H29FN2O/c1-28-15-17-32(18-16-28)35-25-26-37(43-41(35)36-24-21-33(27-40(36)48-43)30-11-6-3-7-12-30)44-46-39-14-8-13-38(45)42(39)47(44)34-22-19-31(20-23-34)29-9-4-2-5-10-29/h2-27H,1H3/i1D3
InChIKeyUJGNILXRJBQNSP-FIBGUPNXSA-N
MW623.75 g/mol
LogP12.04
Rot. Bonds6

About 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole

7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole (PubChem CID 171435999) has the molecular formula C44H29FN2O and a molecular weight of 623.75 g/mol. Its IUPAC name is 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole.

Molecular Properties

Compound Name7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
PubChem CID171435999
Molecular FormulaC44H29FN2O
Molecular Weight623.75 g/mol
Exact Mass623.25
IUPAC Name7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(-c3nc4cccc(F)c4n3-c3ccc(-c4ccccc4)cc3)c3oc4cc(-c5ccccc5)ccc4c23)cc1
InChIInChI=1S/C44H29FN2O/c1-28-15-17-32(18-16-28)35-25-26-37(43-41(35)36-24-21-33(27-40(36)48-43)30-11-6-3-7-12-30)44-46-39-14-8-13-38(45)42(39)47(44)34-22-19-31(20-23-34)29-9-4-2-5-10-29/h2-27H,1H3/i1D3
InChIKeyUJGNILXRJBQNSP-FIBGUPNXSA-N
XLogP12.04
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.75
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 156668334
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 156657603
7-(trideuteriomethyl)-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]-1-triphenylen-2-ylbenzimidazole
CID 170520882
4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 164826545
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 169299441
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium
CID 156667869
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(1,7-dimethyldibenzofuran-4-yl)benzimidazole
CID 166499090
2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164825457
[6-(4-tert-butylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylgermane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-diphenylphenyl)-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);trimethyl-[4-methyl-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane)
CID 159574982

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
The IUPAC name of 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole (CID 171435999) is 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole.
What is the SMILES notation for 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
The canonical SMILES for 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole is [2H]C([2H])([2H])c1ccc(-c2ccc(-c3nc4cccc(F)c4n3-c3ccc(-c4ccccc4)cc3)c3oc4cc(-c5ccccc5)ccc4c23)cc1.
What is the InChIKey of 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
The InChIKey is UJGNILXRJBQNSP-FIBGUPNXSA-N. The full InChI is InChI=1S/C44H29FN2O/c1-28-15-17-32(18-16-28)35-25-26-37(43-41(35)36-24-21-33(27-40(36)48-43)30-11-6-3-7-12-30)44-46-39-14-8-13-38(45)42(39)47(44)34-22-19-31(20-23-34)29-9-4-2-5-10-29/h2-27H,1H3/i1D3.
What are the key properties of 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole has a molecular weight of 623.75 g/mol, XLogP of 12.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole is sourced from PubChem (CID 171435999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).