4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene

C92H78F10N2O3 — CID 159057250

IUPAC4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2ccc(CCCCCCOc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1.Fc1ccc(-c2ccc(CCCCOc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(CCCCCCCCOc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1
InChIInChI=1S/C34H30F2N2O.C30H26F4O.C28H22F4O/c35-33-21-25(12-18-31(33)28-13-8-26(23-37)9-14-28)7-5-3-1-2-4-6-20-39-30-17-19-32(34(36)22-30)29-15-10-27(24-38)11-16-29;31-24-11-7-22(8-12-24)27-16-6-21(19-29(27)33)5-3-1-2-4-18-35-26-15-17-28(30(34)20-26)23-9-13-25(32)14-10-23;29-22-9-5-20(6-10-22)25-14-4-19(17-27(25)31)3-1-2-16-33-24-13-15-26(28(32)18-24)21-7-11-23(30)12-8-21/h8-19,21-22H,1-7,20H2;6-17,19-20H,1-5,18H2;4-15,17-18H,1-3,16H2
InChIKeyJXZYNAOCPOXJNB-UHFFFAOYSA-N
MW1449.63 g/mol
LogP25.74
Rot. Bonds30

About 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene

4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene (PubChem CID 159057250) has the molecular formula C92H78F10N2O3 and a molecular weight of 1449.63 g/mol. Its IUPAC name is 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene
PubChem CID159057250
Molecular FormulaC92H78F10N2O3
Molecular Weight1449.63 g/mol
Exact Mass1448.59
IUPAC Name4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2ccc(CCCCCCOc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1.Fc1ccc(-c2ccc(CCCCOc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(CCCCCCCCOc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1
InChIInChI=1S/C34H30F2N2O.C30H26F4O.C28H22F4O/c35-33-21-25(12-18-31(33)28-13-8-26(23-37)9-14-28)7-5-3-1-2-4-6-20-39-30-17-19-32(34(36)22-30)29-15-10-27(24-38)11-16-29;31-24-11-7-22(8-12-24)27-16-6-21(19-29(27)33)5-3-1-2-4-18-35-26-15-17-28(30(34)20-26)23-9-13-25(32)14-10-23;29-22-9-5-20(6-10-22)25-14-4-19(17-27(25)31)3-1-2-16-33-24-13-15-26(28(32)18-24)21-7-11-23(30)12-8-21/h8-19,21-22H,1-7,20H2;6-17,19-20H,1-5,18H2;4-15,17-18H,1-3,16H2
InChIKeyJXZYNAOCPOXJNB-UHFFFAOYSA-N
XLogP25.74
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.63
LogP ≤ 525.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene with MolForge

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Related Compounds

1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
4-[4-[4-[12-[12-[4-[4-(4-cyanophenyl)-3-fluorophenyl]phenoxy]dodecyldisulfanyl]dodecoxy]phenyl]-2-fluorophenyl]benzonitrile
CID 12040615
4-[4-[1,1-difluoro-8-[3-fluoro-4-(4-methylphenyl)phenyl]octoxy]phenyl]benzonitrile
CID 134602728
4-[[2-fluoro-4-[9-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]nonyl]phenoxy]methyl]benzonitrile
CID 90051551
1-(3,4-difluorophenyl)-4-[4-[7-[4-(3,4-difluorophenyl)-3-fluorophenyl]heptoxy]phenyl]-2-fluorobenzene;formaldehyde
CID 142370445
2-fluoro-4-[9-[3-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]phenoxy]nonoxy]-1-[4-(4-fluorophenyl)-3-methylphenyl]benzene
CID 118260681
2-fluoro-4-[11-[3-fluoro-4-(4-fluorophenyl)phenoxy]-6-methylundecoxy]-1-(4-fluorophenyl)benzene
CID 122542657
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
5-[4-[4-[7-[4-(3,4-difluorophenyl)-3-fluorophenyl]heptoxy]phenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 142526189
4-[2-[1-fluoro-6-(2-fluoro-4-hexoxyphenyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139870962
1,9-bis[3-fluoro-4-(4-fluorophenyl)phenoxy]nonan-5-ol
CID 122542539
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371

Frequently Asked Questions

What is the IUPAC name of 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene?
The IUPAC name of 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene (CID 159057250) is 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene.
What is the SMILES notation for 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene?
The canonical SMILES for 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene is Fc1ccc(-c2ccc(CCCCCCOc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1.Fc1ccc(-c2ccc(CCCCOc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(CCCCCCCCOc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.
What is the InChIKey of 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene?
The InChIKey is JXZYNAOCPOXJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N2O.C30H26F4O.C28H22F4O/c35-33-21-25(12-18-31(33)28-13-8-26(23-37)9-14-28)7-5-3-1-2-4-6-20-39-30-17-19-32(34(36)22-30)29-15-10-27(24-38)11-16-29;31-24-11-7-22(8-12-24)27-16-6-21(19-29(27)33)5-3-1-2-4-18-35-26-15-17-28(30(34)20-26)23-9-13-25(32)14-10-23;29-22-9-5-20(6-10-22)25-14-4-19(17-27(25)31)3-1-2-16-33-24-13-15-26(28(32)18-24)21-7-11-23(30)12-8-21/h8-19,21-22H,1-7,20H2;6-17,19-20H,1-5,18H2;4-15,17-18H,1-3,16H2.
What are the key properties of 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene?
4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene has a molecular weight of 1449.63 g/mol, XLogP of 25.74, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-[4-(4-cyanophenyl)-3-fluorophenoxy]octyl]-2-fluorophenyl]benzonitrile;2-fluoro-4-[4-[3-fluoro-4-(4-fluorophenyl)phenoxy]butyl]-1-(4-fluorophenyl)benzene;2-fluoro-4-[6-[3-fluoro-4-(4-fluorophenyl)phenoxy]hexyl]-1-(4-fluorophenyl)benzene is sourced from PubChem (CID 159057250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).