2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran

C26H18O2 — CID 139460855

IUPAC2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1ccc2oc3cc(-c4ccc5c(c4)oc4c(C)cccc45)ccc3c2c1
InChIInChI=1S/C26H18O2/c1-15-6-11-23-22(12-15)20-10-8-17(13-24(20)27-23)18-7-9-19-21-5-3-4-16(2)26(21)28-25(19)14-18/h3-14H,1-2H3
InChIKeyNRPOPVBGAZBGHG-UHFFFAOYSA-N
MW362.43 g/mol
LogP7.77
Rot. Bonds1

About 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran

2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran (PubChem CID 139460855) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran.

Molecular Properties

Compound Name2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
PubChem CID139460855
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1ccc2oc3cc(-c4ccc5c(c4)oc4c(C)cccc45)ccc3c2c1
InChIInChI=1S/C26H18O2/c1-15-6-11-23-22(12-15)20-10-8-17(13-24(20)27-23)18-7-9-19-21-5-3-4-16(2)26(21)28-25(19)14-18/h3-14H,1-2H3
InChIKeyNRPOPVBGAZBGHG-UHFFFAOYSA-N
XLogP7.77
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyldibenzofuran;ethane
CID 142097287
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
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
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
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
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 123689963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran?
The IUPAC name of 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran (CID 139460855) is 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran.
What is the SMILES notation for 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran?
The canonical SMILES for 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran is Cc1ccc2oc3cc(-c4ccc5c(c4)oc4c(C)cccc45)ccc3c2c1.
What is the InChIKey of 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran?
The InChIKey is NRPOPVBGAZBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-15-6-11-23-22(12-15)20-10-8-17(13-24(20)27-23)18-7-9-19-21-5-3-4-16(2)26(21)28-25(19)14-18/h3-14H,1-2H3.
What are the key properties of 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran?
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran has a molecular weight of 362.43 g/mol, XLogP of 7.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran is sourced from PubChem (CID 139460855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).