dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane

C74H106N2O4S2 — CID 158762554

IUPACdibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)c2ccccc2-c2ccccc21.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C14H10N2O.C12H8O2S.C12H8O.C12H8S.12C2H6/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12*1-2/h1-10H;1-8H;2*1-8H;12*1-2H3
InChIKeyIOVWOVIOQVHEEA-UHFFFAOYSA-N
MW1151.81 g/mol
LogP25.86
Rot. Bonds2

About dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane

dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane (PubChem CID 158762554) has the molecular formula C74H106N2O4S2 and a molecular weight of 1151.81 g/mol. Its IUPAC name is dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Namedibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane
PubChem CID158762554
Molecular FormulaC74H106N2O4S2
Molecular Weight1151.81 g/mol
Exact Mass1150.76
IUPAC Namedibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)c2ccccc2-c2ccccc21.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C14H10N2O.C12H8O2S.C12H8O.C12H8S.12C2H6/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12*1-2/h1-10H;1-8H;2*1-8H;12*1-2H3
InChIKeyIOVWOVIOQVHEEA-UHFFFAOYSA-N
XLogP25.86
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.81
LogP ≤ 525.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tetrakis(dibenzofuran);tris(dibenzothiophene);ethane;toluene
CID 158105670
3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754983
3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131802
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-(4-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)-1,3,4-oxadiazole
CID 70332203
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene
CID 159524203

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane?
The IUPAC name of dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane (CID 158762554) is dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane.
What is the SMILES notation for dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane?
The canonical SMILES for dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)c2ccccc2-c2ccccc21.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane?
The InChIKey is IOVWOVIOQVHEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O.C12H8O2S.C12H8O.C12H8S.12C2H6/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12*1-2/h1-10H;1-8H;2*1-8H;12*1-2H3.
What are the key properties of dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane?
dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane has a molecular weight of 1151.81 g/mol, XLogP of 25.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane is sourced from PubChem (CID 158762554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).