2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran

C27H22O2 — CID 163479669

IUPAC2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran
SMILESCc1cccc2c1oc1ccc(-c3cccc4c5c(oc34)C(C)C(C)C=C5)cc12
InChIInChI=1S/C27H22O2/c1-15-10-12-22-20-9-5-7-19(27(20)29-26(22)17(15)3)18-11-13-24-23(14-18)21-8-4-6-16(2)25(21)28-24/h4-15,17H,1-3H3
InChIKeyCDLJQOIYFCBDAC-UHFFFAOYSA-N
MW378.47 g/mol
LogP8.07
Rot. Bonds1

About 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran

2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran (PubChem CID 163479669) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran.

Molecular Properties

Compound Name2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran
PubChem CID163479669
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran
SMILESCc1cccc2c1oc1ccc(-c3cccc4c5c(oc34)C(C)C(C)C=C5)cc12
InChIInChI=1S/C27H22O2/c1-15-10-12-22-20-9-5-7-19(27(20)29-26(22)17(15)3)18-11-13-24-23(14-18)21-8-4-6-16(2)25(21)28-24/h4-15,17H,1-3H3
InChIKeyCDLJQOIYFCBDAC-UHFFFAOYSA-N
XLogP8.07
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-(6-methyldibenzofuran-4-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 154473158
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran
CID 146532512
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
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
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-(2-methylphenyl)dibenzofuran
CID 118188503
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 154473160
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran?
The IUPAC name of 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran (CID 163479669) is 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran.
What is the SMILES notation for 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran?
The canonical SMILES for 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran is Cc1cccc2c1oc1ccc(-c3cccc4c5c(oc34)C(C)C(C)C=C5)cc12.
What is the InChIKey of 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran?
The InChIKey is CDLJQOIYFCBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-15-10-12-22-20-9-5-7-19(27(20)29-26(22)17(15)3)18-11-13-24-23(14-18)21-8-4-6-16(2)25(21)28-24/h4-15,17H,1-3H3.
What are the key properties of 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran?
2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran has a molecular weight of 378.47 g/mol, XLogP of 8.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran is sourced from PubChem (CID 163479669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).