1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene

C117H85N3O2S4 — CID 158508614

IUPAC1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene
SMILESCc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.Cc1ccc2c(c1)sc1ccc(-c3ccccc3)cc12.Cc1ccc2oc3ccc(-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.Cc1cccc2sc3ccccc3c12
InChIInChI=1S/C28H19N3S.2C19H14O.2C19H14S.C13H10S/c1-18-12-14-24-22(16-18)23-17-21(13-15-25(23)32-24)28-30-26(19-8-4-2-5-9-19)29-27(31-28)20-10-6-3-7-11-20;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-17H,1H3;4*2-12H,1H3;2-8H,1H3
InChIKeyHKTRKQLSJHYENU-UHFFFAOYSA-N
MW1693.25 g/mol
LogP35.09
Rot. Bonds7

About 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene

1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene (PubChem CID 158508614) has the molecular formula C117H85N3O2S4 and a molecular weight of 1693.25 g/mol. Its IUPAC name is 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene.

Molecular Properties

Compound Name1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene
PubChem CID158508614
Molecular FormulaC117H85N3O2S4
Molecular Weight1693.25 g/mol
Exact Mass1691.55
IUPAC Name1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene
SMILESCc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.Cc1ccc2c(c1)sc1ccc(-c3ccccc3)cc12.Cc1ccc2oc3ccc(-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.Cc1cccc2sc3ccccc3c12
InChIInChI=1S/C28H19N3S.2C19H14O.2C19H14S.C13H10S/c1-18-12-14-24-22(16-18)23-17-21(13-15-25(23)32-24)28-30-26(19-8-4-2-5-9-19)29-27(31-28)20-10-6-3-7-11-20;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-17H,1H3;4*2-12H,1H3;2-8H,1H3
InChIKeyHKTRKQLSJHYENU-UHFFFAOYSA-N
XLogP35.09
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001693.25
LogP ≤ 535.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
2-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377310
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597044
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 157050517
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 159819778
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928

Frequently Asked Questions

What is the IUPAC name of 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene?
The IUPAC name of 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene (CID 158508614) is 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene.
What is the SMILES notation for 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene?
The canonical SMILES for 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene is Cc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.Cc1ccc2c(c1)sc1ccc(-c3ccccc3)cc12.Cc1ccc2oc3ccc(-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.Cc1cccc2sc3ccccc3c12.
What is the InChIKey of 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene?
The InChIKey is HKTRKQLSJHYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3S.2C19H14O.2C19H14S.C13H10S/c1-18-12-14-24-22(16-18)23-17-21(13-15-25(23)32-24)28-30-26(19-8-4-2-5-9-19)29-27(31-28)20-10-6-3-7-11-20;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-17H,1H3;4*2-12H,1H3;2-8H,1H3.
What are the key properties of 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene?
1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene has a molecular weight of 1693.25 g/mol, XLogP of 35.09, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene is sourced from PubChem (CID 158508614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).