5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline

C21H12BrNO — CID 155018942

IUPAC5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline
SMILESBrc1ccc(-c2nc3c4ccccc4oc3c3ccccc23)cc1
InChIInChI=1S/C21H12BrNO/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)21-20(23-19)17-7-3-4-8-18(17)24-21/h1-12H
InChIKeyOJEYRDQRDWOFAC-UHFFFAOYSA-N
MW374.24 g/mol
LogP6.56
Rot. Bonds1

About 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline

5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 155018942) has the molecular formula C21H12BrNO and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline
PubChem CID155018942
Molecular FormulaC21H12BrNO
Molecular Weight374.24 g/mol
Exact Mass373.01
IUPAC Name5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline
SMILESBrc1ccc(-c2nc3c4ccccc4oc3c3ccccc23)cc1
InChIInChI=1S/C21H12BrNO/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)21-20(23-19)17-7-3-4-8-18(17)24-21/h1-12H
InChIKeyOJEYRDQRDWOFAC-UHFFFAOYSA-N
XLogP6.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163518307
21-(4-bromophenyl)-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475345
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163764895
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
5-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
CID 163533431
4-(4-bromophenyl)dibenzofuran
CID 59022098
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163488405
24-pyren-2-yl-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 126702225

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline (CID 155018942) is 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline is Brc1ccc(-c2nc3c4ccccc4oc3c3ccccc23)cc1.
What is the InChIKey of 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is OJEYRDQRDWOFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrNO/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)21-20(23-19)17-7-3-4-8-18(17)24-21/h1-12H.
What are the key properties of 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline?
5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 374.24 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 155018942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).