5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline

C21H13BrN2 — CID 101486334

IUPAC5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
SMILESBrc1ccc(-c2nc3c4ccccc4[nH]c3c3ccccc23)cc1
InChIInChI=1S/C21H13BrN2/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20-21(24-19)17-7-3-4-8-18(17)23-20/h1-12,23H
InChIKeyYGRUKMCGNHDZQV-UHFFFAOYSA-N
MW373.25 g/mol
LogP6.30
Rot. Bonds1

About 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline

5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline (PubChem CID 101486334) has the molecular formula C21H13BrN2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
PubChem CID101486334
Molecular FormulaC21H13BrN2
Molecular Weight373.25 g/mol
Exact Mass372.03
IUPAC Name5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
SMILESBrc1ccc(-c2nc3c4ccccc4[nH]c3c3ccccc23)cc1
InChIInChI=1S/C21H13BrN2/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20-21(24-19)17-7-3-4-8-18(17)23-20/h1-12,23H
InChIKeyYGRUKMCGNHDZQV-UHFFFAOYSA-N
XLogP6.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline 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

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
9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine
CID 138662122
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
2,20-bis(4-bromophenyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
CID 136688369
5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline
CID 155018942
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine
CID 177484137
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
CID 171477204
3-(4-bromophenyl)-1H-cinnolin-4-one
CID 15194097
2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
CID 10713509

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline?
The IUPAC name of 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline (CID 101486334) is 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline.
What is the SMILES notation for 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline?
The canonical SMILES for 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline is Brc1ccc(-c2nc3c4ccccc4[nH]c3c3ccccc23)cc1.
What is the InChIKey of 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline?
The InChIKey is YGRUKMCGNHDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20-21(24-19)17-7-3-4-8-18(17)23-20/h1-12,23H.
What are the key properties of 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline?
5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline has a molecular weight of 373.25 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline is sourced from PubChem (CID 101486334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).