bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene

C119H102O6S — CID 158769902

IUPACbis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
SMILESCc1ccc2c(c1)oc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2oc3ccccc3c12.Cc1cccc2oc3ccccc3c12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/6C13H10O.C13H10S.4C7H8/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;4*1-7-5-3-2-4-6-7/h7*2-8H,1H3;4*2-6H,1H3
InChIKeyIPSRTQYVJKMWFI-UHFFFAOYSA-N
MW1660.19 g/mol
LogP35.71
Rot. Bonds

About bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene

bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene (PubChem CID 158769902) has the molecular formula C119H102O6S and a molecular weight of 1660.19 g/mol. Its IUPAC name is bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene.

Molecular Properties

Compound Namebis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
PubChem CID158769902
Molecular FormulaC119H102O6S
Molecular Weight1660.19 g/mol
Exact Mass1658.74
IUPAC Namebis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
SMILESCc1ccc2c(c1)oc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2oc3ccccc3c12.Cc1cccc2oc3ccccc3c12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/6C13H10O.C13H10S.4C7H8/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;4*1-7-5-3-2-4-6-7/h7*2-8H,1H3;4*2-6H,1H3
InChIKeyIPSRTQYVJKMWFI-UHFFFAOYSA-N
XLogP35.71
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.19
LogP ≤ 535.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;1-N-(4-methylphenyl)-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 158687855
1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene
CID 158098626
3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene
CID 158033812
1,8-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;1,8-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;2,7-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480425
methyl-bis(2,4,6-trimethylphenyl)borane;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;[methyl(phenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[methyl-(2,4,6-trimethylphenyl)phosphoryl]benzene
CID 159275379
2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;2-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158418392
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 162012575
3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;toluene
CID 161062609
1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran
CID 158698987

Frequently Asked Questions

What is the IUPAC name of bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene?
The IUPAC name of bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene (CID 158769902) is bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene.
What is the SMILES notation for bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene?
The canonical SMILES for bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene is Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2oc3ccccc3c12.Cc1cccc2oc3ccccc3c12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene?
The InChIKey is IPSRTQYVJKMWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C13H10O.C13H10S.4C7H8/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;4*1-7-5-3-2-4-6-7/h7*2-8H,1H3;4*2-6H,1H3.
What are the key properties of bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene?
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene has a molecular weight of 1660.19 g/mol, XLogP of 35.71, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene is sourced from PubChem (CID 158769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).