2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran

C24H15BrO2 — CID 170051931

IUPAC2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
SMILESBrc1cc(-c2ccc3c4c(oc3c2)C=CCC4)c2oc3ccccc3c2c1
InChIInChI=1S/C24H15BrO2/c25-15-12-19(24-20(13-15)17-6-2-4-8-22(17)27-24)14-9-10-18-16-5-1-3-7-21(16)26-23(18)11-14/h2-4,6-13H,1,5H2
InChIKeyCDDKMWVWYRQNCI-UHFFFAOYSA-N
MW415.29 g/mol
LogP7.72
Rot. Bonds1

About 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran

2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran (PubChem CID 170051931) has the molecular formula C24H15BrO2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran.

Molecular Properties

Compound Name2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
PubChem CID170051931
Molecular FormulaC24H15BrO2
Molecular Weight415.29 g/mol
Exact Mass414.03
IUPAC Name2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
SMILESBrc1cc(-c2ccc3c4c(oc3c2)C=CCC4)c2oc3ccccc3c2c1
InChIInChI=1S/C24H15BrO2/c25-15-12-19(24-20(13-15)17-6-2-4-8-22(17)27-24)14-9-10-18-16-5-1-3-7-21(16)26-23(18)11-14/h2-4,6-13H,1,5H2
InChIKeyCDDKMWVWYRQNCI-UHFFFAOYSA-N
XLogP7.72
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.29
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
CID 88995013
4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 153130331
2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran
CID 134504475
2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline
CID 159082193
6-bromo-1,2-dihydrodibenzofuran
CID 121420689
4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15(33),16,18,20(32),21,23(31),24(29),27-tetradecaen-17-yl)benzonitrile
CID 155201339
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran
CID 164934376
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
12-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
CID 170014185
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran?
The IUPAC name of 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran (CID 170051931) is 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran.
What is the SMILES notation for 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran?
The canonical SMILES for 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran is Brc1cc(-c2ccc3c4c(oc3c2)C=CCC4)c2oc3ccccc3c2c1.
What is the InChIKey of 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran?
The InChIKey is CDDKMWVWYRQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrO2/c25-15-12-19(24-20(13-15)17-6-2-4-8-22(17)27-24)14-9-10-18-16-5-1-3-7-21(16)26-23(18)11-14/h2-4,6-13H,1,5H2.
What are the key properties of 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran?
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran has a molecular weight of 415.29 g/mol, XLogP of 7.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran is sourced from PubChem (CID 170051931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).