4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole

C188H122N4O5S6 — CID 158849080

IUPAC4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2-c2sc(-c3cocn3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2sc(-c3cocn3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3cccc4ccccc34)c3ccccc23)cc1.c1ccc(-c2cnc(-c3sc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)o2)cc1.c1ccc(-c2nc(-c3sc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/2C35H23NOS.2C30H20S.C29H17NO2S.C29H19NOS/c1-4-13-24(14-5-1)27-21-12-22-28(25-15-6-2-7-16-25)32(27)34-30-20-11-10-19-29(30)33(38-34)31-23-37-35(36-31)26-17-8-3-9-18-26;1-4-13-24(14-5-1)27-21-12-22-28(25-15-6-2-7-16-25)32(27)33-29-19-10-11-20-30(29)34(38-33)35-36-23-31(37-35)26-17-8-3-9-18-26;1-2-11-21(12-3-1)23-16-6-7-17-25(23)29-27-18-8-9-19-28(27)30(31-29)26-20-10-14-22-13-4-5-15-24(22)26;1-2-11-22(12-3-1)25-14-6-7-15-26(25)30-28-17-9-8-16-27(28)29(31-30)24-19-18-21-10-4-5-13-23(21)20-24;1-2-8-18(9-3-1)19-14-15-21-20-10-6-7-13-25(20)32-27(21)26(19)29-23-12-5-4-11-22(23)28(33-29)24-16-31-17-30-24;1-3-10-20(11-4-1)22-16-9-17-23(21-12-5-2-6-13-21)27(22)29-25-15-8-7-14-24(25)28(32-29)26-18-31-19-30-26/h2*1-23H;2*1-20H;1-17H;1-19H
InChIKeyIZFFPKSTKJCJET-UHFFFAOYSA-N
MW2709.47 g/mol
LogP55.91
Rot. Bonds23

About 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole

4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole (PubChem CID 158849080) has the molecular formula C188H122N4O5S6 and a molecular weight of 2709.47 g/mol. Its IUPAC name is 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole
PubChem CID158849080
Molecular FormulaC188H122N4O5S6
Molecular Weight2709.47 g/mol
Exact Mass2706.77
IUPAC Name4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2-c2sc(-c3cocn3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2sc(-c3cocn3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3cccc4ccccc34)c3ccccc23)cc1.c1ccc(-c2cnc(-c3sc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)o2)cc1.c1ccc(-c2nc(-c3sc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/2C35H23NOS.2C30H20S.C29H17NO2S.C29H19NOS/c1-4-13-24(14-5-1)27-21-12-22-28(25-15-6-2-7-16-25)32(27)34-30-20-11-10-19-29(30)33(38-34)31-23-37-35(36-31)26-17-8-3-9-18-26;1-4-13-24(14-5-1)27-21-12-22-28(25-15-6-2-7-16-25)32(27)33-29-19-10-11-20-30(29)34(38-33)35-36-23-31(37-35)26-17-8-3-9-18-26;1-2-11-21(12-3-1)23-16-6-7-17-25(23)29-27-18-8-9-19-28(27)30(31-29)26-20-10-14-22-13-4-5-15-24(22)26;1-2-11-22(12-3-1)25-14-6-7-15-26(25)30-28-17-9-8-16-27(28)29(31-30)24-19-18-21-10-4-5-13-23(21)20-24;1-2-8-18(9-3-1)19-14-15-21-20-10-6-7-13-25(20)32-27(21)26(19)29-23-12-5-4-11-22(23)28(33-29)24-16-31-17-30-24;1-3-10-20(11-4-1)22-16-9-17-23(21-12-5-2-6-13-21)27(22)29-25-15-8-7-14-24(25)28(32-29)26-18-31-19-30-26/h2*1-23H;2*1-20H;1-17H;1-19H
InChIKeyIZFFPKSTKJCJET-UHFFFAOYSA-N
XLogP55.91
TPSA117.26 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002709.47
LogP ≤ 555.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158811429
2-[2-[12-[3-(1,3-Benzoxazol-2-yl)-1-benzothiophen-2-yl]tetracen-5-yl]-1-benzothiophen-3-yl]-1,3-benzoxazole
CID 58501110
2-[2,5-Bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole
CID 67650515
2-[3-[14-[3-(1,3-Oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole
CID 117638919
2-[4-[14-[4-(1,3-Oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole
CID 117639632
2-[2-[4-[3-(1,3-Benzoxazol-2-yl)-1-benzothiophen-2-yl]-2,3-bis(ethenyl)anthracen-1-yl]-1-benzothiophen-3-yl]-1,3-benzoxazole;ethane
CID 144030141
4-[3-(3-Phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole
CID 156552839
2-Phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
CID 156552867
2-Phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
CID 156553715
Ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,3-benzothiazole-2-thione;2-methyl-1,3-benzoxazole;3-methyl-1,3-benzoxazole-2-thione;2-methylisoindole-1,3-dithione;1-methylnaphthalene;2-methylnaphthalene;2-methyl-3-sulfanylideneisoindol-1-one
CID 157138781
2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;bis(2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione);2,3,5-trimethyl-6-[3-(4-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-thiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1,3-oxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione
CID 157172127
2-Dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole
CID 157271682

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole?
The IUPAC name of 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole (CID 158849080) is 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole.
What is the SMILES notation for 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole?
The canonical SMILES for 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole is c1ccc(-c2ccc3c(oc4ccccc43)c2-c2sc(-c3cocn3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2sc(-c3cocn3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3cccc4ccccc34)c3ccccc23)cc1.c1ccc(-c2cnc(-c3sc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)o2)cc1.c1ccc(-c2nc(-c3sc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)co2)cc1.
What is the InChIKey of 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole?
The InChIKey is IZFFPKSTKJCJET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H23NOS.2C30H20S.C29H17NO2S.C29H19NOS/c1-4-13-24(14-5-1)27-21-12-22-28(25-15-6-2-7-16-25)32(27)34-30-20-11-10-19-29(30)33(38-34)31-23-37-35(36-31)26-17-8-3-9-18-26;1-4-13-24(14-5-1)27-21-12-22-28(25-15-6-2-7-16-25)32(27)33-29-19-10-11-20-30(29)34(38-33)35-36-23-31(37-35)26-17-8-3-9-18-26;1-2-11-21(12-3-1)23-16-6-7-17-25(23)29-27-18-8-9-19-28(27)30(31-29)26-20-10-14-22-13-4-5-15-24(22)26;1-2-11-22(12-3-1)25-14-6-7-15-26(25)30-28-17-9-8-16-27(28)29(31-30)24-19-18-21-10-4-5-13-23(21)20-24;1-2-8-18(9-3-1)19-14-15-21-20-10-6-7-13-25(20)32-27(21)26(19)29-23-12-5-4-11-22(23)28(33-29)24-16-31-17-30-24;1-3-10-20(11-4-1)22-16-9-17-23(21-12-5-2-6-13-21)27(22)29-25-15-8-7-14-24(25)28(32-29)26-18-31-19-30-26/h2*1-23H;2*1-20H;1-17H;1-19H.
What are the key properties of 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole?
4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole has a molecular weight of 2709.47 g/mol, XLogP of 55.91, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-5-phenyl-1,3-oxazole;4-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole;1-naphthalen-1-yl-3-(2-phenylphenyl)-2-benzothiophene;1-naphthalen-2-yl-3-(2-phenylphenyl)-2-benzothiophene;4-[3-(3-phenyldibenzofuran-4-yl)-2-benzothiophen-1-yl]-1,3-oxazole is sourced from PubChem (CID 158849080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).