bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))

C54H38N6Pt2 — CID 176622051

IUPACbis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))
SMILESCc1ccc2c(n1)[n-]c1ccccc12.Cc1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/2C15H10N.2C12H9N2.2Pt/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-8-6-7-10-9-4-2-3-5-11(9)14-12(10)13-8;;/h2*1-7,9-11H;2*2-7H,1H3;;/q4*-1;2*+2
InChIKeyZWFKTCFMWMMRFD-UHFFFAOYSA-N
MW1161.10 g/mol
LogP12.71
Rot. Bonds2

About bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))

bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)) (PubChem CID 176622051) has the molecular formula C54H38N6Pt2 and a molecular weight of 1161.10 g/mol. Its IUPAC name is bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)).

Molecular Properties

Compound Namebis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))
PubChem CID176622051
Molecular FormulaC54H38N6Pt2
Molecular Weight1161.10 g/mol
Exact Mass1160.25
IUPAC Namebis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))
SMILESCc1ccc2c(n1)[n-]c1ccccc12.Cc1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/2C15H10N.2C12H9N2.2Pt/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-8-6-7-10-9-4-2-3-5-11(9)14-12(10)13-8;;/h2*1-7,9-11H;2*2-7H,1H3;;/q4*-1;2*+2
InChIKeyZWFKTCFMWMMRFD-UHFFFAOYSA-N
XLogP12.71
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.10
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;8-methyl-4-phenyl-3,7-phenanthroline
CID 168852706
bis(2-phenylpyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621886
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
bis(2-phenylpyridine);bis(2-phenylpyrido[2,3-b]indol-9-ide);bis(platinum(2+))
CID 176622002
bromobenzene;iridium(3+);2-methylpyridine;bis(1-phenylisoquinoline)
CID 59336500
CID 59865379
CID 59865379
bis(3,4-dimethyl-2-phenylpyridin-1-ium);iridium;1-phenylisoquinoline
CID 160540235
iridium(3+);1-methanidyl-2-phenylpyridin-1-ium;1-phenylisoquinoline
CID 155624636
(Z)-4-hydroxy-3-prop-1-en-2-ylpent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 59815313
bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine);bis(2-methylpyrido[2,3-b]indol-9-ide);bis(platinum(2+))
CID 176621995
6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
CID 21024818

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))?
The IUPAC name of bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)) (CID 176622051) is bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)).
What is the SMILES notation for bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))?
The canonical SMILES for bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)) is Cc1ccc2c(n1)[n-]c1ccccc12.Cc1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))?
The InChIKey is ZWFKTCFMWMMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10N.2C12H9N2.2Pt/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-8-6-7-10-9-4-2-3-5-11(9)14-12(10)13-8;;/h2*1-7,9-11H;2*2-7H,1H3;;/q4*-1;2*+2.
What are the key properties of bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))?
bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)) has a molecular weight of 1161.10 g/mol, XLogP of 12.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+)) is sourced from PubChem (CID 176622051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).