1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum

C46H32BrN3Pt — CID 158471763

IUPAC1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
SMILESBrc1ccccc1-c1nccc2ccccc12.[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc2c(c1)C[n+]1ccc3ccccc3c1-2
InChIInChI=1S/C16H12N.C15H10BrN.C15H10N.Pt/c1-3-7-14-12(5-1)9-10-17-11-13-6-2-4-8-15(13)16(14)17;16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-10H,11H2;1-10H;1-7,9-11H;/q+1;;-1;
InChIKeyCULPUDRRNSXHFJ-UHFFFAOYSA-N
MW901.76 g/mol
LogP11.52
Rot. Bonds2

About 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum

1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum (PubChem CID 158471763) has the molecular formula C46H32BrN3Pt and a molecular weight of 901.76 g/mol. Its IUPAC name is 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum.

Molecular Properties

Compound Name1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
PubChem CID158471763
Molecular FormulaC46H32BrN3Pt
Molecular Weight901.76 g/mol
Exact Mass900.14
IUPAC Name1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
SMILESBrc1ccccc1-c1nccc2ccccc12.[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc2c(c1)C[n+]1ccc3ccccc3c1-2
InChIInChI=1S/C16H12N.C15H10BrN.C15H10N.Pt/c1-3-7-14-12(5-1)9-10-17-11-13-6-2-4-8-15(13)16(14)17;16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-10H,11H2;1-10H;1-7,9-11H;/q+1;;-1;
InChIKeyCULPUDRRNSXHFJ-UHFFFAOYSA-N
XLogP11.52
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.76
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum with MolForge

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Launch Full Analysis

Related Compounds

iridium(3+);1-methanidyl-2-phenylpyridin-1-ium;1-phenylisoquinoline
CID 155624636
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
1-[1-adamantyl(phenyl)phosphoryl]adamantane;iridium;1-phenylisoquinoline
CID 164702262
14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
CID 158167380
bromobenzene;iridium(3+);2-methylpyridine;bis(1-phenylisoquinoline)
CID 59336500
CID 158059987
CID 158059987
iridium;1-phenylisoquinoline;2,2,6,6-tetramethyl-3,3a,4,5,7,7a-hexahydro-1H-indene-1,7-diol
CID 170528441
1-isoquinolin-1-yl-2-methylisoquinolin-2-ium
CID 102203995
CID 59865379
CID 59865379
(Z)-4-hydroxy-3-prop-1-en-2-ylpent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 59815313

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
The IUPAC name of 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum (CID 158471763) is 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum.
What is the SMILES notation for 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
The canonical SMILES for 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum is Brc1ccccc1-c1nccc2ccccc12.[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc2c(c1)C[n+]1ccc3ccccc3c1-2.
What is the InChIKey of 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
The InChIKey is CULPUDRRNSXHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N.C15H10BrN.C15H10N.Pt/c1-3-7-14-12(5-1)9-10-17-11-13-6-2-4-8-15(13)16(14)17;16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-10H,11H2;1-10H;1-7,9-11H;/q+1;;-1;.
What are the key properties of 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum?
1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum has a molecular weight of 901.76 g/mol, XLogP of 11.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)isoquinoline;8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum is sourced from PubChem (CID 158471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).