4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran

C27H21BrO — CID 70817016

IUPAC4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran
SMILESCCc1ccccc1-c1cc2c(oc3ccccc32)c(-c2cccc(Br)c2)c1C
InChIInChI=1S/C27H21BrO/c1-3-18-9-4-5-12-21(18)23-16-24-22-13-6-7-14-25(22)29-27(24)26(17(23)2)19-10-8-11-20(28)15-19/h4-16H,3H2,1-2H3
InChIKeyZVNSXDOTKLGEMQ-UHFFFAOYSA-N
MW441.37 g/mol
LogP8.55
Rot. Bonds3

About 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran

4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran (PubChem CID 70817016) has the molecular formula C27H21BrO and a molecular weight of 441.37 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran
PubChem CID70817016
Molecular FormulaC27H21BrO
Molecular Weight441.37 g/mol
Exact Mass440.08
IUPAC Name4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran
SMILESCCc1ccccc1-c1cc2c(oc3ccccc32)c(-c2cccc(Br)c2)c1C
InChIInChI=1S/C27H21BrO/c1-3-18-9-4-5-12-21(18)23-16-24-22-13-6-7-14-25(22)29-27(24)26(17(23)2)19-10-8-11-20(28)15-19/h4-16H,3H2,1-2H3
InChIKeyZVNSXDOTKLGEMQ-UHFFFAOYSA-N
XLogP8.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-4-methylchromen-2-one
CID 688765
5-(3-bromophenyl)naphtho[1,2-b][1]benzofuran;naphtho[1,2-b][1]benzofuran-5-ylboronic acid
CID 161013729
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-(4-bromophenyl)dibenzofuran
CID 59022098
12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163925926
1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
CID 142604922
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
4-ethylxanthen-9-one
CID 15075530
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 88568856

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran?
The IUPAC name of 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran (CID 70817016) is 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran.
What is the SMILES notation for 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran?
The canonical SMILES for 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran is CCc1ccccc1-c1cc2c(oc3ccccc32)c(-c2cccc(Br)c2)c1C.
What is the InChIKey of 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran?
The InChIKey is ZVNSXDOTKLGEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrO/c1-3-18-9-4-5-12-21(18)23-16-24-22-13-6-7-14-25(22)29-27(24)26(17(23)2)19-10-8-11-20(28)15-19/h4-16H,3H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran?
4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran has a molecular weight of 441.37 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(2-ethylphenyl)-3-methyldibenzofuran is sourced from PubChem (CID 70817016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).