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

C26H18O2 — CID 134513522

IUPAC1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1ccc2c(c1)oc1cc(-c3cc(C)c4c(c3)oc3ccccc34)ccc12
InChIInChI=1S/C26H18O2/c1-15-7-9-19-20-10-8-17(13-24(20)28-23(19)11-15)18-12-16(2)26-21-5-3-4-6-22(21)27-25(26)14-18/h3-14H,1-2H3
InChIKeyMVGQPQKUNIFOQV-UHFFFAOYSA-N
MW362.43 g/mol
LogP7.77
Rot. Bonds1

About 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran

1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran (PubChem CID 134513522) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran.

Molecular Properties

Compound Name1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
PubChem CID134513522
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1ccc2c(c1)oc1cc(-c3cc(C)c4c(c3)oc3ccccc34)ccc12
InChIInChI=1S/C26H18O2/c1-15-7-9-19-20-10-8-17(13-24(20)28-23(19)11-15)18-12-16(2)26-21-5-3-4-6-22(21)27-25(26)14-18/h3-14H,1-2H3
InChIKeyMVGQPQKUNIFOQV-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-methylphenyl)dibenzofuran
CID 70924364
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
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
3-methylxanthene-9-thione
CID 57266652
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
2-(7-methylphenanthren-2-yl)dibenzofuran
CID 118887116
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
9-[7-(7-methyldibenzofuran-2-yl)dibenzofuran-3-yl]carbazole
CID 170079327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran?
The IUPAC name of 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran (CID 134513522) is 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran.
What is the SMILES notation for 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran?
The canonical SMILES for 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran is Cc1ccc2c(c1)oc1cc(-c3cc(C)c4c(c3)oc3ccccc34)ccc12.
What is the InChIKey of 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran?
The InChIKey is MVGQPQKUNIFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-15-7-9-19-20-10-8-17(13-24(20)28-23(19)11-15)18-12-16(2)26-21-5-3-4-6-22(21)27-25(26)14-18/h3-14H,1-2H3.
What are the key properties of 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran?
1-methyl-3-(7-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 1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran is sourced from PubChem (CID 134513522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).