3-bromophenanthro[1,2-b][1]benzofuran

C20H11BrO — CID 132507376

IUPAC3-bromophenanthro[1,2-b][1]benzofuran
SMILESBrc1ccc2ccc3c(ccc4c5ccccc5oc43)c2c1
InChIInChI=1S/C20H11BrO/c21-13-7-5-12-6-8-16-14(18(12)11-13)9-10-17-15-3-1-2-4-19(15)22-20(16)17/h1-11H
InChIKeyQNYOVSKPIHKXPQ-UHFFFAOYSA-N
MW347.21 g/mol
LogP6.65
Rot. Bonds

About 3-bromophenanthro[1,2-b][1]benzofuran

3-bromophenanthro[1,2-b][1]benzofuran (PubChem CID 132507376) has the molecular formula C20H11BrO and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-bromophenanthro[1,2-b][1]benzofuran.

Molecular Properties

Compound Name3-bromophenanthro[1,2-b][1]benzofuran
PubChem CID132507376
Molecular FormulaC20H11BrO
Molecular Weight347.21 g/mol
Exact Mass346.00
IUPAC Name3-bromophenanthro[1,2-b][1]benzofuran
SMILESBrc1ccc2ccc3c(ccc4c5ccccc5oc43)c2c1
InChIInChI=1S/C20H11BrO/c21-13-7-5-12-6-8-16-14(18(12)11-13)9-10-17-15-3-1-2-4-19(15)22-20(16)17/h1-11H
InChIKeyQNYOVSKPIHKXPQ-UHFFFAOYSA-N
XLogP6.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.21
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-bromophenanthro[1,2-b][1]benzofuran with MolForge

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Related Compounds

18-bromo-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186602
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
2-[4-(10-bromo-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 177271094
7-bromo-[1]benzofuro[3,2-b]chromen-11-one
CID 153449994
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467

Frequently Asked Questions

What is the IUPAC name of 3-bromophenanthro[1,2-b][1]benzofuran?
The IUPAC name of 3-bromophenanthro[1,2-b][1]benzofuran (CID 132507376) is 3-bromophenanthro[1,2-b][1]benzofuran.
What is the SMILES notation for 3-bromophenanthro[1,2-b][1]benzofuran?
The canonical SMILES for 3-bromophenanthro[1,2-b][1]benzofuran is Brc1ccc2ccc3c(ccc4c5ccccc5oc43)c2c1.
What is the InChIKey of 3-bromophenanthro[1,2-b][1]benzofuran?
The InChIKey is QNYOVSKPIHKXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrO/c21-13-7-5-12-6-8-16-14(18(12)11-13)9-10-17-15-3-1-2-4-19(15)22-20(16)17/h1-11H.
What are the key properties of 3-bromophenanthro[1,2-b][1]benzofuran?
3-bromophenanthro[1,2-b][1]benzofuran has a molecular weight of 347.21 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromophenanthro[1,2-b][1]benzofuran is sourced from PubChem (CID 132507376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).