2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene

C186H178O11S6Si — CID 164988841

IUPAC2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene
SMILESCCCCCCCCOc1cc2c(cc1C)oc1cc(C)c(C)cc12.CCCCCCCCOc1cc2c(cc1C)sc1cc(C)c(C)cc12.Cc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)S(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2oc3ccc(C)cc3c(=O)c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c(=O)c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/C26H22Si.C23H30O2.C23H30OS.C15H12O2.C15H12OS.C14H12O2S.C14H12OS.2C14H12O.2C14H12S/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;2*1-5-6-7-8-9-10-11-24-21-15-20-19-12-16(2)17(3)13-22(19)25-23(20)14-18(21)4;2*1-9-3-5-13-11(7-9)15(16)12-8-10(2)4-6-14(12)17-13;1-9-3-5-11-12-6-4-10(2)8-14(12)17(15,16)13(11)7-9;1-9-3-5-11-12-6-4-10(2)8-14(12)16(15)13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-18H,1-2H3;2*12-15H,5-11H2,1-4H3;3*3-8H,1-2H3;3-8H,1-2H3;4*3-8H,1-2H3
InChIKeyGOCWDPQSTANKLD-UHFFFAOYSA-N
MW2809.95 g/mol
LogP50.54
Rot. Bonds18

About 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene

2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene (PubChem CID 164988841) has the molecular formula C186H178O11S6Si and a molecular weight of 2809.95 g/mol. Its IUPAC name is 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene.

Molecular Properties

Compound Name2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene
PubChem CID164988841
Molecular FormulaC186H178O11S6Si
Molecular Weight2809.95 g/mol
Exact Mass2807.15
IUPAC Name2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene
SMILESCCCCCCCCOc1cc2c(cc1C)oc1cc(C)c(C)cc12.CCCCCCCCOc1cc2c(cc1C)sc1cc(C)c(C)cc12.Cc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)S(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2oc3ccc(C)cc3c(=O)c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c(=O)c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/C26H22Si.C23H30O2.C23H30OS.C15H12O2.C15H12OS.C14H12O2S.C14H12OS.2C14H12O.2C14H12S/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;2*1-5-6-7-8-9-10-11-24-21-15-20-19-12-16(2)17(3)13-22(19)25-23(20)14-18(21)4;2*1-9-3-5-13-11(7-9)15(16)12-8-10(2)4-6-14(12)17-13;1-9-3-5-11-12-6-4-10(2)8-14(12)17(15,16)13(11)7-9;1-9-3-5-11-12-6-4-10(2)8-14(12)16(15)13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-18H,1-2H3;2*12-15H,5-11H2,1-4H3;3*3-8H,1-2H3;3-8H,1-2H3;4*3-8H,1-2H3
InChIKeyGOCWDPQSTANKLD-UHFFFAOYSA-N
XLogP50.54
TPSA156.37 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002809.95
LogP ≤ 550.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene with MolForge

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Related Compounds

2,3,7-trimethyl-8-octoxydibenzofuran
CID 59156344
3-[6-[3-(2,8-dihexoxy-7-methyldibenzothiophen-3-yl)-7-methyl-5,5-diphenylbenzo[b][1]benzosilol-8-yl]oxyhexyl]-2,2-dimethyl-1-phenylaziridine
CID 140597371
17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 149181119
2-(4-hydroxybutoxy)-3-methylthioxanthen-9-one
CID 167338748
3,7-dimethyl-2,8-dioctoxydibenzofuran;bis([2-(2-diphenylphosphaniumylphenyl)phenyl]-diphenylphosphanium);palladium
CID 159402027
3-[6-[3,7-dimethyl-5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]oxyhexyl]-2,2-dimethyl-1-phenylaziridine
CID 158748708
3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole
CID 59167384
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9-phenylcarbazole;3,6-dimethyl-9-phenylcarbazole;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 159765295
4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345616
9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene?
The IUPAC name of 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene (CID 164988841) is 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene.
What is the SMILES notation for 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene?
The canonical SMILES for 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene is CCCCCCCCOc1cc2c(cc1C)oc1cc(C)c(C)cc12.CCCCCCCCOc1cc2c(cc1C)sc1cc(C)c(C)cc12.Cc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)S(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2oc3ccc(C)cc3c(=O)c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c(=O)c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.
What is the InChIKey of 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene?
The InChIKey is GOCWDPQSTANKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Si.C23H30O2.C23H30OS.C15H12O2.C15H12OS.C14H12O2S.C14H12OS.2C14H12O.2C14H12S/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;2*1-5-6-7-8-9-10-11-24-21-15-20-19-12-16(2)17(3)13-22(19)25-23(20)14-18(21)4;2*1-9-3-5-13-11(7-9)15(16)12-8-10(2)4-6-14(12)17-13;1-9-3-5-11-12-6-4-10(2)8-14(12)17(15,16)13(11)7-9;1-9-3-5-11-12-6-4-10(2)8-14(12)16(15)13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-18H,1-2H3;2*12-15H,5-11H2,1-4H3;3*3-8H,1-2H3;3-8H,1-2H3;4*3-8H,1-2H3.
What are the key properties of 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene?
2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene has a molecular weight of 2809.95 g/mol, XLogP of 50.54, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene 5,5-dioxide;3,7-dimethyldibenzothiophene 5-oxide;3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole;2,7-dimethylthioxanthen-9-one;2,7-dimethylxanthen-9-one;2,3,7-trimethyl-8-octoxydibenzofuran;2,3,7-trimethyl-8-octoxydibenzothiophene is sourced from PubChem (CID 164988841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).