1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene

C26H18S2 — CID 175613525

IUPAC1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
SMILESCc1cc2c(cc1-c1ccc3sc4cccc(C)c4c3c1)sc1ccccc12
InChIInChI=1S/C26H18S2/c1-15-6-5-9-24-26(15)21-13-17(10-11-23(21)27-24)19-14-25-20(12-16(19)2)18-7-3-4-8-22(18)28-25/h3-14H,1-2H3
InChIKeyGHKVAWMHQUIENP-UHFFFAOYSA-N
MW394.56 g/mol
LogP8.71
Rot. Bonds1

About 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene

1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene (PubChem CID 175613525) has the molecular formula C26H18S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene.

Molecular Properties

Compound Name1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
PubChem CID175613525
Molecular FormulaC26H18S2
Molecular Weight394.56 g/mol
Exact Mass394.08
IUPAC Name1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
SMILESCc1cc2c(cc1-c1ccc3sc4cccc(C)c4c3c1)sc1ccccc12
InChIInChI=1S/C26H18S2/c1-15-6-5-9-24-26(15)21-13-17(10-11-23(21)27-24)19-14-25-20(12-16(19)2)18-7-3-4-8-22(18)28-25/h3-14H,1-2H3
InChIKeyGHKVAWMHQUIENP-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138605341
1-methyl-8-(8-methyliodanuidyldibenzothiophen-3-yl)dibenzothiophene
CID 163428736
1-methyldibenzothiophene
CID 23839
2-(2-methyl-4-pyren-1-ylphenyl)dibenzothiophene
CID 59758502
10-(4-dibenzothiophen-2-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88858582
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
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
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene?
The IUPAC name of 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene (CID 175613525) is 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene.
What is the SMILES notation for 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene?
The canonical SMILES for 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene is Cc1cc2c(cc1-c1ccc3sc4cccc(C)c4c3c1)sc1ccccc12.
What is the InChIKey of 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene?
The InChIKey is GHKVAWMHQUIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S2/c1-15-6-5-9-24-26(15)21-13-17(10-11-23(21)27-24)19-14-25-20(12-16(19)2)18-7-3-4-8-22(18)28-25/h3-14H,1-2H3.
What are the key properties of 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene?
1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene has a molecular weight of 394.56 g/mol, XLogP of 8.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene is sourced from PubChem (CID 175613525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).