1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene

C115H120F6O10S — CID 158505894

IUPAC1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2cc(Oc3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H18F6O2.C24H18O4S.2C24H18O2.8C2H6/c28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20;1-4-10-19(11-5-1)20-16-23(25-21-12-6-2-7-13-21)18-24(17-20)26-22-14-8-3-9-15-22;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;8*1-2/h1-18H;1-18H;2*1-18H;8*1-2H3
InChIKeyHKLPWDONXZKICA-UHFFFAOYSA-N
MW1808.27 g/mol
LogP36.87
Rot. Bonds22

About 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene

1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene (PubChem CID 158505894) has the molecular formula C115H120F6O10S and a molecular weight of 1808.27 g/mol. Its IUPAC name is 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
PubChem CID158505894
Molecular FormulaC115H120F6O10S
Molecular Weight1808.27 g/mol
Exact Mass1806.85
IUPAC Name1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2cc(Oc3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H18F6O2.C24H18O4S.2C24H18O2.8C2H6/c28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20;1-4-10-19(11-5-1)20-16-23(25-21-12-6-2-7-13-21)18-24(17-20)26-22-14-8-3-9-15-22;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;8*1-2/h1-18H;1-18H;2*1-18H;8*1-2H3
InChIKeyHKLPWDONXZKICA-UHFFFAOYSA-N
XLogP36.87
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001808.27
LogP ≤ 536.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene with MolForge

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59165224
1-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-methylbenzene
CID 135215267
1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 90830034
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157198968
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;1-methyl-4-[3-[3-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-(4-methylphenoxy)-3-[3-(4-methylphenoxy)phenyl]sulfonylbenzene
CID 159261526
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium
CID 143174606
2-[4-[4-[4-[4-[4-(4-anthracen-2-yloxyphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]anthracene;ethane
CID 142421469
5-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxybenzenesulfonic acid
CID 58214163
3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-7,7-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 148685502
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
The IUPAC name of 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene (CID 158505894) is 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene.
What is the SMILES notation for 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
The canonical SMILES for 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2cc(Oc3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
The InChIKey is HKLPWDONXZKICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6O2.C24H18O4S.2C24H18O2.8C2H6/c28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20;1-4-10-19(11-5-1)20-16-23(25-21-12-6-2-7-13-21)18-24(17-20)26-22-14-8-3-9-15-22;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;8*1-2/h1-18H;1-18H;2*1-18H;8*1-2H3.
What are the key properties of 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene has a molecular weight of 1808.27 g/mol, XLogP of 36.87, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 158505894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).