[2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane

C52H57FN4OS — CID 145179068

IUPAC[2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1C(C)(C)S(C)(F)c1ccccc1-c1nccn1-c1c(C(C)C)cc(C(C)C)c2oc3ccccc3c12
InChIInChI=1S/C52H57FN4OS/c1-32(2)36-22-18-23-37(33(3)4)47(36)56-29-27-54-50(56)38-19-12-15-24-43(38)52(9,10)59(11,53)45-26-17-14-21-40(45)51-55-28-30-57(51)48-41(34(5)6)31-42(35(7)8)49-46(48)39-20-13-16-25-44(39)58-49/h12-35H,1-11H3
InChIKeyJKZYUWAXPDEDFA-UHFFFAOYSA-N
MW805.12 g/mol
LogP15.40
Rot. Bonds11

About [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane

[2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane (PubChem CID 145179068) has the molecular formula C52H57FN4OS and a molecular weight of 805.12 g/mol. Its IUPAC name is [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane.

Molecular Properties

Compound Name[2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane
PubChem CID145179068
Molecular FormulaC52H57FN4OS
Molecular Weight805.12 g/mol
Exact Mass804.42
IUPAC Name[2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1C(C)(C)S(C)(F)c1ccccc1-c1nccn1-c1c(C(C)C)cc(C(C)C)c2oc3ccccc3c12
InChIInChI=1S/C52H57FN4OS/c1-32(2)36-22-18-23-37(33(3)4)47(36)56-29-27-54-50(56)38-19-12-15-24-43(38)52(9,10)59(11,53)45-26-17-14-21-40(45)51-55-28-30-57(51)48-41(34(5)6)31-42(35(7)8)49-46(48)39-20-13-16-25-44(39)58-49/h12-35H,1-11H3
InChIKeyJKZYUWAXPDEDFA-UHFFFAOYSA-N
XLogP15.40
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.12
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane with MolForge

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Related Compounds

1-(2,4-diisopropyldibenzo[b,d]furan-3-yl)-2-phenyl-1H-imidazole
CID 58400869
2-(4-fluorophenyl)-5-[3-[1-(2-imidazol-1-ylethyl)indol-2-yl]phenyl]-N-methyl-6-[methyl(methylsulfanyl)amino]-1-benzofuran-3-carboxamide
CID 144243187
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylimidazol-1-ium
CID 164849420
1-[2,4-Di(propan-2-yl)dibenzofuran-3-yl]-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium
CID 168811719
3-[3-[3-(4-Tert-butyl-2,6-diphenylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 176642288
20-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 140951952
7-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
CID 140952342
10-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
CID 140953048
3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
CID 140953159
10-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
CID 140953219
10-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140953461
9-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 140953668

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane?
The IUPAC name of [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane (CID 145179068) is [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane.
What is the SMILES notation for [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane?
The canonical SMILES for [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1C(C)(C)S(C)(F)c1ccccc1-c1nccn1-c1c(C(C)C)cc(C(C)C)c2oc3ccccc3c12.
What is the InChIKey of [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane?
The InChIKey is JKZYUWAXPDEDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57FN4OS/c1-32(2)36-22-18-23-37(33(3)4)47(36)56-29-27-54-50(56)38-19-12-15-24-43(38)52(9,10)59(11,53)45-26-17-14-21-40(45)51-55-28-30-57(51)48-41(34(5)6)31-42(35(7)8)49-46(48)39-20-13-16-25-44(39)58-49/h12-35H,1-11H3.
What are the key properties of [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane?
[2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane has a molecular weight of 805.12 g/mol, XLogP of 15.40, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-λ4-sulfane is sourced from PubChem (CID 145179068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).