6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

C199H132F54O5S — CID 158360246

IUPAC6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESC=CCC1CCC(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)CC1.C=CCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)cc1.CCCCCC1CCC(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)CC1.CCCCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)cc1.CCCCCc1ccc2c(F)c(OCc3cc(F)c(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)cc2c1.CCCCCc1ccc2cc(CSc3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)ccc2c1
InChIInChI=1S/C35H22F10O.C35H25F7S.C33H27F9O.C33H21F9O.C32H17F9O.C31H20F10O/c1-2-3-4-5-18-6-7-23-20(10-18)14-29(40)34(33(23)42)46-17-19-11-26(37)30(27(38)12-19)21-13-22-15-25(36)24(8-9-35(43,44)45)32(41)31(22)28(39)16-21;1-2-3-4-5-21-6-8-24-15-22(7-9-23(24)14-21)20-43-27-18-31(37)33(32(38)19-27)25-10-11-28-26(16-25)17-30(36)29(34(28)39)12-13-35(40,41)42;2*1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-16-28(35)30(29(36)17-22)33(41,42)43-24-12-13-25-23(18-24)19-27(34)26(31(25)37)14-15-32(38,39)40;1-2-3-4-19-5-7-20(8-6-19)9-10-21-15-27(34)29(28(35)16-21)32(40,41)42-23-11-12-24-22(17-23)18-26(33)25(30(24)36)13-14-31(37,38)39;1-2-3-17-4-6-18(7-5-17)8-9-19-12-25(34)28(26(35)13-19)31(40,41)42-21-14-20-15-23(32)22(10-11-30(37,38)39)29(36)27(20)24(33)16-21/h6-7,10-16H,2-5,17H2,1H3;6-11,14-19H,2-5,20H2,1H3;12-13,16-21H,2-9H2,1H3;6-9,12-13,16-19H,2-5H2,1H3;2,5-8,11-12,15-18H,1,3-4H2;2,12-18H,1,3-7H2
InChIKeyGTJLLAFKKRTUIK-UHFFFAOYSA-N
MW3661.20 g/mol
LogP60.03
Rot. Bonds41

About 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (PubChem CID 158360246) has the molecular formula C199H132F54O5S and a molecular weight of 3661.20 g/mol. Its IUPAC name is 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

Molecular Properties

Compound Name6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
PubChem CID158360246
Molecular FormulaC199H132F54O5S
Molecular Weight3661.20 g/mol
Exact Mass3658.89
IUPAC Name6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESC=CCC1CCC(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)CC1.C=CCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)cc1.CCCCCC1CCC(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)CC1.CCCCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)cc1.CCCCCc1ccc2c(F)c(OCc3cc(F)c(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)cc2c1.CCCCCc1ccc2cc(CSc3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)ccc2c1
InChIInChI=1S/C35H22F10O.C35H25F7S.C33H27F9O.C33H21F9O.C32H17F9O.C31H20F10O/c1-2-3-4-5-18-6-7-23-20(10-18)14-29(40)34(33(23)42)46-17-19-11-26(37)30(27(38)12-19)21-13-22-15-25(36)24(8-9-35(43,44)45)32(41)31(22)28(39)16-21;1-2-3-4-5-21-6-8-24-15-22(7-9-23(24)14-21)20-43-27-18-31(37)33(32(38)19-27)25-10-11-28-26(16-25)17-30(36)29(34(28)39)12-13-35(40,41)42;2*1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-16-28(35)30(29(36)17-22)33(41,42)43-24-12-13-25-23(18-24)19-27(34)26(31(25)37)14-15-32(38,39)40;1-2-3-4-19-5-7-20(8-6-19)9-10-21-15-27(34)29(28(35)16-21)32(40,41)42-23-11-12-24-22(17-23)18-26(33)25(30(24)36)13-14-31(37,38)39;1-2-3-17-4-6-18(7-5-17)8-9-19-12-25(34)28(26(35)13-19)31(40,41)42-21-14-20-15-23(32)22(10-11-30(37,38)39)29(36)27(20)24(33)16-21/h6-7,10-16H,2-5,17H2,1H3;6-11,14-19H,2-5,20H2,1H3;12-13,16-21H,2-9H2,1H3;6-9,12-13,16-19H,2-5H2,1H3;2,5-8,11-12,15-18H,1,3-4H2;2,12-18H,1,3-7H2
InChIKeyGTJLLAFKKRTUIK-UHFFFAOYSA-N
XLogP60.03
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds41
Heavy Atoms259
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003661.20
LogP ≤ 560.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The IUPAC name of 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (CID 158360246) is 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.
What is the SMILES notation for 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The canonical SMILES for 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is C=CCC1CCC(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)CC1.C=CCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)cc1.CCCCCC1CCC(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)CC1.CCCCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)c2)cc1.CCCCCc1ccc2c(F)c(OCc3cc(F)c(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)cc2c1.CCCCCc1ccc2cc(CSc3cc(F)c(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)ccc2c1.
What is the InChIKey of 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The InChIKey is GTJLLAFKKRTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F10O.C35H25F7S.C33H27F9O.C33H21F9O.C32H17F9O.C31H20F10O/c1-2-3-4-5-18-6-7-23-20(10-18)14-29(40)34(33(23)42)46-17-19-11-26(37)30(27(38)12-19)21-13-22-15-25(36)24(8-9-35(43,44)45)32(41)31(22)28(39)16-21;1-2-3-4-5-21-6-8-24-15-22(7-9-23(24)14-21)20-43-27-18-31(37)33(32(38)19-27)25-10-11-28-26(16-25)17-30(36)29(34(28)39)12-13-35(40,41)42;2*1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-16-28(35)30(29(36)17-22)33(41,42)43-24-12-13-25-23(18-24)19-27(34)26(31(25)37)14-15-32(38,39)40;1-2-3-4-19-5-7-20(8-6-19)9-10-21-15-27(34)29(28(35)16-21)32(40,41)42-23-11-12-24-22(17-23)18-26(33)25(30(24)36)13-14-31(37,38)39;1-2-3-17-4-6-18(7-5-17)8-9-19-12-25(34)28(26(35)13-19)31(40,41)42-21-14-20-15-23(32)22(10-11-30(37,38)39)29(36)27(20)24(33)16-21/h6-7,10-16H,2-5,17H2,1H3;6-11,14-19H,2-5,20H2,1H3;12-13,16-21H,2-9H2,1H3;6-9,12-13,16-19H,2-5H2,1H3;2,5-8,11-12,15-18H,1,3-4H2;2,12-18H,1,3-7H2.
What are the key properties of 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene has a molecular weight of 3661.20 g/mol, XLogP of 60.03, 41 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2,6-difluoro-4-[(6-pentylnaphthalen-2-yl)methylsulfanyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[4-[(1,3-difluoro-6-pentylnaphthalen-2-yl)oxymethyl]-2,6-difluorophenyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethynyl]phenyl]-difluoromethoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is sourced from PubChem (CID 158360246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).