4-bromo-7-phenylisoquinoline

C15H10BrN — CID 21192478

IUPAC4-bromo-7-phenylisoquinoline
SMILESBrc1cncc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C15H10BrN/c16-15-10-17-9-13-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-10H
InChIKeyOSOQUMUVLWHPJE-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.66
Rot. Bonds1

About 4-bromo-7-phenylisoquinoline

4-bromo-7-phenylisoquinoline (PubChem CID 21192478) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-bromo-7-phenylisoquinoline.

Molecular Properties

Compound Name4-bromo-7-phenylisoquinoline
PubChem CID21192478
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name4-bromo-7-phenylisoquinoline
SMILESBrc1cncc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C15H10BrN/c16-15-10-17-9-13-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-10H
InChIKeyOSOQUMUVLWHPJE-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-7-phenylisoquinoline
CID 70704187
9-bromo-2,6-diphenylanthracene
CID 58194202
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-bromo-4-phenylphenolate
CID 155760391
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
8-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[h]isoquinoline
CID 149110952
2,7-diphenylanthracene
CID 154020316
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
7-phenylquinazoline
CID 142441841
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-phenylisoquinoline?
The IUPAC name of 4-bromo-7-phenylisoquinoline (CID 21192478) is 4-bromo-7-phenylisoquinoline.
What is the SMILES notation for 4-bromo-7-phenylisoquinoline?
The canonical SMILES for 4-bromo-7-phenylisoquinoline is Brc1cncc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 4-bromo-7-phenylisoquinoline?
The InChIKey is OSOQUMUVLWHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN/c16-15-10-17-9-13-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-bromo-7-phenylisoquinoline?
4-bromo-7-phenylisoquinoline has a molecular weight of 284.16 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-phenylisoquinoline is sourced from PubChem (CID 21192478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).