3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran

C26H18O2 — CID 166921667

IUPAC3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1ccc2c(c1)oc1cc(-c3ccc4c(oc5ccccc54)c3C)ccc12
InChIInChI=1S/C26H18O2/c1-15-7-9-20-21-10-8-17(14-25(21)27-24(20)13-15)18-11-12-22-19-5-3-4-6-23(19)28-26(22)16(18)2/h3-14H,1-2H3
InChIKeyOEUOFILJFBJDCC-UHFFFAOYSA-N
MW362.43 g/mol
LogP7.77
Rot. Bonds1

About 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran

3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran (PubChem CID 166921667) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran.

Molecular Properties

Compound Name3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
PubChem CID166921667
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1ccc2c(c1)oc1cc(-c3ccc4c(oc5ccccc54)c3C)ccc12
InChIInChI=1S/C26H18O2/c1-15-7-9-20-21-10-8-17(14-25(21)27-24(20)13-15)18-11-12-22-19-5-3-4-6-23(19)28-26(22)16(18)2/h3-14H,1-2H3
InChIKeyOEUOFILJFBJDCC-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-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran
CID 164845409
3-(3-methylphenyl)dibenzofuran
CID 70924364
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
1-(4-methylphenyl)dibenzofuran;3-(4-methylphenyl)dibenzofuran;3-methyl-7-phenyldibenzofuran;4-methyl-1-phenyldibenzofuran;4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran
CID 160682962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran?
The IUPAC name of 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran (CID 166921667) is 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran.
What is the SMILES notation for 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran?
The canonical SMILES for 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran is Cc1ccc2c(c1)oc1cc(-c3ccc4c(oc5ccccc54)c3C)ccc12.
What is the InChIKey of 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran?
The InChIKey is OEUOFILJFBJDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-15-7-9-20-21-10-8-17(14-25(21)27-24(20)13-15)18-11-12-22-19-5-3-4-6-23(19)28-26(22)16(18)2/h3-14H,1-2H3.
What are the key properties of 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran?
3-methyl-7-(4-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 3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran is sourced from PubChem (CID 166921667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).