11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran

C22H12BrClO — CID 163932137

IUPAC11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran
SMILESClc1ccccc1-c1cccc2oc3cc4ccccc4c(Br)c3c12
InChIInChI=1S/C22H12BrClO/c23-22-14-7-2-1-6-13(14)12-19-21(22)20-16(9-5-11-18(20)25-19)15-8-3-4-10-17(15)24/h1-12H
InChIKeyRJOQOCNFWFZQJQ-UHFFFAOYSA-N
MW407.69 g/mol
LogP7.82
Rot. Bonds1

About 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran

11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran (PubChem CID 163932137) has the molecular formula C22H12BrClO and a molecular weight of 407.69 g/mol. Its IUPAC name is 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran
PubChem CID163932137
Molecular FormulaC22H12BrClO
Molecular Weight407.69 g/mol
Exact Mass405.98
IUPAC Name11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran
SMILESClc1ccccc1-c1cccc2oc3cc4ccccc4c(Br)c3c12
InChIInChI=1S/C22H12BrClO/c23-22-14-7-2-1-6-13(14)12-19-21(22)20-16(9-5-11-18(20)25-19)15-8-3-4-10-17(15)24/h1-12H
InChIKeyRJOQOCNFWFZQJQ-UHFFFAOYSA-N
XLogP7.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.69
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromo-1-chloroanthracene
CID 165359177
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
CID 170209534
3-(2-chlorophenyl)dibenzofuran
CID 138667405
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole
CID 58065693
1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
CID 156695180
11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334176
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695
20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155484512

Frequently Asked Questions

What is the IUPAC name of 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran (CID 163932137) is 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran is Clc1ccccc1-c1cccc2oc3cc4ccccc4c(Br)c3c12.
What is the InChIKey of 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is RJOQOCNFWFZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrClO/c23-22-14-7-2-1-6-13(14)12-19-21(22)20-16(9-5-11-18(20)25-19)15-8-3-4-10-17(15)24/h1-12H.
What are the key properties of 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran?
11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran has a molecular weight of 407.69 g/mol, XLogP of 7.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163932137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).