6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran

C26H18O2 — CID 146531811

IUPAC6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran
SMILESCc1cccc2c1oc1c(C3=c4oc5ccccc5c4=CC=CC3)cccc12
InChIInChI=1S/C26H18O2/c1-16-8-6-12-19-21-13-7-14-22(26(21)28-24(16)19)20-11-3-2-10-18-17-9-4-5-15-23(17)27-25(18)20/h2-10,12-15H,11H2,1H3
InChIKeyBBRZNZKRRRWWAC-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.58
Rot. Bonds1

About 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran

6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran (PubChem CID 146531811) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran
PubChem CID146531811
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran
SMILESCc1cccc2c1oc1c(C3=c4oc5ccccc5c4=CC=CC3)cccc12
InChIInChI=1S/C26H18O2/c1-16-8-6-12-19-21-13-7-14-22(26(21)28-24(16)19)20-11-3-2-10-18-17-9-4-5-15-23(17)27-25(18)20/h2-10,12-15H,11H2,1H3
InChIKeyBBRZNZKRRRWWAC-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane
CID 145447484
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
9-[6-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-2-yl]carbazole
CID 170284328
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227
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
4-[4-[10-(4-methylsulfanylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811482

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran?
The IUPAC name of 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran (CID 146531811) is 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran.
What is the SMILES notation for 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran?
The canonical SMILES for 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran is Cc1cccc2c1oc1c(C3=c4oc5ccccc5c4=CC=CC3)cccc12.
What is the InChIKey of 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran?
The InChIKey is BBRZNZKRRRWWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-16-8-6-12-19-21-13-7-14-22(26(21)28-24(16)19)20-11-3-2-10-18-17-9-4-5-15-23(17)27-25(18)20/h2-10,12-15H,11H2,1H3.
What are the key properties of 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran?
6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran has a molecular weight of 362.43 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyldibenzofuran-4-yl)-7H-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 146531811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).