1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene

C101H90S6 — CID 160691046

IUPAC1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
SMILESCc1ccc(C)c2c1sc1ccccc12.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)sc1c(C)cccc12.Cc1ccc2c(c1)sc1cccc(C)c12.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3cccc(C)c3c2c1.Cc1cccc2sc3cccc(C)c3c12
InChIInChI=1S/C17H18.6C14H12S/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-6-7-12-11(8-9)14-10(2)4-3-5-13(14)15-12;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-9-7-8-10(2)14-13(9)11-5-3-4-6-12(11)15-14/h5-10H,1-4H3;6*3-8H,1-2H3
InChIKeyRPKGBJNIVRVHQY-UHFFFAOYSA-N
MW1496.23 g/mol
LogP32.64
Rot. Bonds

About 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene

1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene (PubChem CID 160691046) has the molecular formula C101H90S6 and a molecular weight of 1496.23 g/mol. Its IUPAC name is 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Name1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
PubChem CID160691046
Molecular FormulaC101H90S6
Molecular Weight1496.23 g/mol
Exact Mass1494.54
IUPAC Name1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
SMILESCc1ccc(C)c2c1sc1ccccc12.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)sc1c(C)cccc12.Cc1ccc2c(c1)sc1cccc(C)c12.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3cccc(C)c3c2c1.Cc1cccc2sc3cccc(C)c3c12
InChIInChI=1S/C17H18.6C14H12S/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-6-7-12-11(8-9)14-10(2)4-3-5-13(14)15-12;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-9-7-8-10(2)14-13(9)11-5-3-4-6-12(11)15-14/h5-10H,1-4H3;6*3-8H,1-2H3
InChIKeyRPKGBJNIVRVHQY-UHFFFAOYSA-N
XLogP32.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001496.23
LogP ≤ 532.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene with MolForge

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Related Compounds

1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
7,7,9-trimethylfluoreno[2,3-b][1]benzothiole
CID 129267057
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene
CID 162148469
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
2,8-dimethyl-3-(6-methyldibenzothiophen-2-yl)dibenzothiophene
CID 138605341
1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine
CID 159558502
10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 162210199
2-methyl-8-[2-(6-methyldibenzothiophen-2-yl)ethyl]dibenzothiophene
CID 138662442

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene?
The IUPAC name of 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene (CID 160691046) is 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene.
What is the SMILES notation for 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene?
The canonical SMILES for 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene is Cc1ccc(C)c2c1sc1ccccc12.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)sc1c(C)cccc12.Cc1ccc2c(c1)sc1cccc(C)c12.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3cccc(C)c3c2c1.Cc1cccc2sc3cccc(C)c3c12.
What is the InChIKey of 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene?
The InChIKey is RPKGBJNIVRVHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.6C14H12S/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-6-7-12-11(8-9)14-10(2)4-3-5-13(14)15-12;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-9-7-8-10(2)14-13(9)11-5-3-4-6-12(11)15-14/h5-10H,1-4H3;6*3-8H,1-2H3.
What are the key properties of 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene?
1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene has a molecular weight of 1496.23 g/mol, XLogP of 32.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 160691046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).