2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran

C33H23BrO — CID 144639842

IUPAC2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran
SMILESCc1ccccc1-c1ccc(-c2cccc(Br)c2)cc1/C=C\c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C33H23BrO/c1-22-7-2-3-10-28(22)29-17-16-25(24-8-6-9-27(34)21-24)20-26(29)15-13-23-14-18-33-31(19-23)30-11-4-5-12-32(30)35-33/h2-21H,1H3/b15-13-
InChIKeyNARWZZDRZXMZAM-SQFISAMPSA-N
MW515.45 g/mol
LogP10.16
Rot. Bonds4

About 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran

2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran (PubChem CID 144639842) has the molecular formula C33H23BrO and a molecular weight of 515.45 g/mol. Its IUPAC name is 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran.

Molecular Properties

Compound Name2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran
PubChem CID144639842
Molecular FormulaC33H23BrO
Molecular Weight515.45 g/mol
Exact Mass514.09
IUPAC Name2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran
SMILESCc1ccccc1-c1ccc(-c2cccc(Br)c2)cc1/C=C\c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C33H23BrO/c1-22-7-2-3-10-28(22)29-17-16-25(24-8-6-9-27(34)21-24)20-26(29)15-13-23-14-18-33-31(19-23)30-11-4-5-12-32(30)35-33/h2-21H,1H3/b15-13-
InChIKeyNARWZZDRZXMZAM-SQFISAMPSA-N
XLogP10.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.45
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-[5-[3-(4-bromophenyl)phenyl]-2-(2-methylphenyl)phenyl]ethenyl]-3,5-diphenylbenzene
CID 144639801
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
CID 156754970
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
2-(3-bromo-5-methylphenyl)dibenzofuran
CID 121368269
2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran
CID 144640207
1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
CID 166923235
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine
CID 126725895
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
CID 145067582

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran?
The IUPAC name of 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran (CID 144639842) is 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran.
What is the SMILES notation for 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran?
The canonical SMILES for 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran is Cc1ccccc1-c1ccc(-c2cccc(Br)c2)cc1/C=C\c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran?
The InChIKey is NARWZZDRZXMZAM-SQFISAMPSA-N. The full InChI is InChI=1S/C33H23BrO/c1-22-7-2-3-10-28(22)29-17-16-25(24-8-6-9-27(34)21-24)20-26(29)15-13-23-14-18-33-31(19-23)30-11-4-5-12-32(30)35-33/h2-21H,1H3/b15-13-.
What are the key properties of 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran?
2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran has a molecular weight of 515.45 g/mol, XLogP of 10.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran is sourced from PubChem (CID 144639842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).