3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene

C336H216F10O4S4 — CID 157372150

IUPAC3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
SMILESC(#Cc1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1.C(#Cc1ccc2c(c1)oc1cc(C#Cc3ccccc3)ccc12)c1ccccc1.C(#Cc1ccc2c(c1)sc1cc(C#Cc3ccccc3)ccc12)c1ccccc1.CCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(CCCCCC)cc4)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(C)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(C)cc4)ccc23)cc1.Fc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(F)cc4)ccc23)cc1.Fc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C42H42.C32H22.C30H17F3O.C30H17F3S.C30H20O.C30H20S.C30H18.C28H14F2O.C28H14F2S.C28H16O.C28H16S/c1-3-5-7-9-11-35-13-17-37(18-14-35)21-23-39-25-29-41(30-26-39)33-34-42-31-27-40(28-32-42)24-22-38-19-15-36(16-20-38)12-10-8-6-4-2;1-25-3-7-27(8-4-25)11-13-29-15-19-31(20-16-29)23-24-32-21-17-30(18-22-32)14-12-28-9-5-26(2)6-10-28;2*1-20-2-4-21(5-3-20)6-8-23-12-16-26-27-17-13-24(19-29(27)34-28(26)18-23)9-7-22-10-14-25(15-11-22)30(31,32)33;2*1-21-3-7-23(8-4-21)11-13-25-15-17-27-28-18-16-26(20-30(28)31-29(27)19-25)14-12-24-9-5-22(2)6-10-24;1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26;2*29-23-11-5-19(6-12-23)1-3-21-9-15-25-26-16-10-22(18-28(26)31-27(25)17-21)4-2-20-7-13-24(30)14-8-20;2*1-3-7-21(8-4-1)11-13-23-15-17-25-26-18-16-24(20-28(26)29-27(25)19-23)14-12-22-9-5-2-6-10-22/h13-20,25-32H,3-12H2,1-2H3;3-10,15-22H,1-2H3;2*2-5,10-19H,1H3;2*3-10,15-20H,1-2H3;1-10,15-22H;2*5-18H;2*1-10,15-20H
InChIKeyBJWUPOXULZTKBP-UHFFFAOYSA-N
MW4635.67 g/mol
LogP79.92
Rot. Bonds10

About 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene

3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene (PubChem CID 157372150) has the molecular formula C336H216F10O4S4 and a molecular weight of 4635.67 g/mol. Its IUPAC name is 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene.

Molecular Properties

Compound Name3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
PubChem CID157372150
Molecular FormulaC336H216F10O4S4
Molecular Weight4635.67 g/mol
Exact Mass4631.54
IUPAC Name3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
SMILESC(#Cc1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1.C(#Cc1ccc2c(c1)oc1cc(C#Cc3ccccc3)ccc12)c1ccccc1.C(#Cc1ccc2c(c1)sc1cc(C#Cc3ccccc3)ccc12)c1ccccc1.CCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(CCCCCC)cc4)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(C)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(C)cc4)ccc23)cc1.Fc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(F)cc4)ccc23)cc1.Fc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C42H42.C32H22.C30H17F3O.C30H17F3S.C30H20O.C30H20S.C30H18.C28H14F2O.C28H14F2S.C28H16O.C28H16S/c1-3-5-7-9-11-35-13-17-37(18-14-35)21-23-39-25-29-41(30-26-39)33-34-42-31-27-40(28-32-42)24-22-38-19-15-36(16-20-38)12-10-8-6-4-2;1-25-3-7-27(8-4-25)11-13-29-15-19-31(20-16-29)23-24-32-21-17-30(18-22-32)14-12-28-9-5-26(2)6-10-28;2*1-20-2-4-21(5-3-20)6-8-23-12-16-26-27-17-13-24(19-29(27)34-28(26)18-23)9-7-22-10-14-25(15-11-22)30(31,32)33;2*1-21-3-7-23(8-4-21)11-13-25-15-17-27-28-18-16-26(20-30(28)31-29(27)19-25)14-12-24-9-5-22(2)6-10-24;1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26;2*29-23-11-5-19(6-12-23)1-3-21-9-15-25-26-16-10-22(18-28(26)31-27(25)17-21)4-2-20-7-13-24(30)14-8-20;2*1-3-7-21(8-4-1)11-13-23-15-17-25-26-18-16-24(20-28(26)29-27(25)19-23)14-12-22-9-5-2-6-10-22/h13-20,25-32H,3-12H2,1-2H3;3-10,15-22H,1-2H3;2*2-5,10-19H,1H3;2*3-10,15-20H,1-2H3;1-10,15-22H;2*5-18H;2*1-10,15-20H
InChIKeyBJWUPOXULZTKBP-UHFFFAOYSA-N
XLogP79.92
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms354
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004635.67
LogP ≤ 579.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-Hexoxyphenyl)phenyl] 3-[3,3,4,4,5,5-hexafluoro-2-[6-[4-(4-hexoxyphenyl)phenoxy]carbonyl-2-methyl-1-benzothiophen-3-yl]cyclopenten-1-yl]-2-methyl-1-benzothiophene-6-carboxylate
CID 23113279
3-[3,3,4,4,5,5-Hexafluoro-2-[2-(5-methylthiophen-2-yl)-1-benzofuran-3-yl]cyclopenten-1-yl]-2-(5-methylthiophen-2-yl)-1-benzofuran
CID 89484128
4-[15-(3,4-Difluorophenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl]dibenzofuran
CID 89516451
1-[6-[4,8-Bis(5-methylfuran-2-yl)-6-phenylthieno[2,3-f][1]benzothiol-2-yl]-3-fluoro-4-phenylthieno[3,4-b]thiophen-2-yl]ethanone
CID 118314859
(2-Oxochromen-6-yl) 6-[6-[6-[4,8-bis(5-methylthiophen-2-yl)-6-phenylthieno[2,3-f][1]benzothiol-2-yl]-3-fluoro-2-methoxycarbonylthieno[2,3-c]thiophen-4-yl]-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-2-yl]-3-fluoro-4-phenylthieno[3,4-b]thiophene-2-carboxylate
CID 118314880
3-[2-(4,6-Difluoro-7-methyldibenzothiophen-3-yl)ethyl]-4,6-difluoro-7-methyldibenzofuran
CID 134573757
6,18-Difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242828
CID 135242829
CID 135242829
7,19-Difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242838
CID 135243470
CID 135243470
6-Methyl-3-[4-methyl-6-(trifluoromethoxy)dibenzothiophen-3-yl]-4-(trifluoromethyl)dibenzofuran
CID 138651743
20-Dibenzothiophen-3-yl-15,15-bis(4-fluorophenyl)-12-phenyl-4-oxaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17(22),18,20,23,25,27-tridecaene
CID 145743518

Frequently Asked Questions

What is the IUPAC name of 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene?
The IUPAC name of 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene (CID 157372150) is 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene.
What is the SMILES notation for 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene?
The canonical SMILES for 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene is C(#Cc1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1.C(#Cc1ccc2c(c1)oc1cc(C#Cc3ccccc3)ccc12)c1ccccc1.C(#Cc1ccc2c(c1)sc1cc(C#Cc3ccccc3)ccc12)c1ccccc1.CCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(CCCCCC)cc4)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(C)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(C)cc4)ccc23)cc1.Fc1ccc(C#Cc2ccc3c(c2)oc2cc(C#Cc4ccc(F)cc4)ccc23)cc1.Fc1ccc(C#Cc2ccc3c(c2)sc2cc(C#Cc4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene?
The InChIKey is BJWUPOXULZTKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42.C32H22.C30H17F3O.C30H17F3S.C30H20O.C30H20S.C30H18.C28H14F2O.C28H14F2S.C28H16O.C28H16S/c1-3-5-7-9-11-35-13-17-37(18-14-35)21-23-39-25-29-41(30-26-39)33-34-42-31-27-40(28-32-42)24-22-38-19-15-36(16-20-38)12-10-8-6-4-2;1-25-3-7-27(8-4-25)11-13-29-15-19-31(20-16-29)23-24-32-21-17-30(18-22-32)14-12-28-9-5-26(2)6-10-28;2*1-20-2-4-21(5-3-20)6-8-23-12-16-26-27-17-13-24(19-29(27)34-28(26)18-23)9-7-22-10-14-25(15-11-22)30(31,32)33;2*1-21-3-7-23(8-4-21)11-13-25-15-17-27-28-18-16-26(20-30(28)31-29(27)19-25)14-12-24-9-5-22(2)6-10-24;1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26;2*29-23-11-5-19(6-12-23)1-3-21-9-15-25-26-16-10-22(18-28(26)31-27(25)17-21)4-2-20-7-13-24(30)14-8-20;2*1-3-7-21(8-4-1)11-13-23-15-17-25-26-18-16-24(20-28(26)29-27(25)19-23)14-12-22-9-5-2-6-10-22/h13-20,25-32H,3-12H2,1-2H3;3-10,15-22H,1-2H3;2*2-5,10-19H,1H3;2*3-10,15-20H,1-2H3;1-10,15-22H;2*5-18H;2*1-10,15-20H.
What are the key properties of 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene?
3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene has a molecular weight of 4635.67 g/mol, XLogP of 79.92, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-fluorophenyl)ethynyl]dibenzothiophene;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran;3,7-bis[2-(4-methylphenyl)ethynyl]dibenzothiophene;3,7-bis(2-phenylethynyl)dibenzofuran;3,7-bis(2-phenylethynyl)dibenzothiophene;1-hexyl-4-[2-[4-[2-[4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzofuran;3-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]dibenzothiophene;1-(2-phenylethynyl)-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene is sourced from PubChem (CID 157372150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).