chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline

C24H15ClN2Pt — CID 21024818

IUPACchloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
SMILESCl[Pt+].[c-]1c(-c2nccc3ccccc23)cccc1-c1nccc2ccccc12
InChIInChI=1S/C24H15N2.ClH.Pt/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24;;/h1-15H;1H;/q-1;;+2/p-1
InChIKeyQQZMYWRNQGZREN-UHFFFAOYSA-M
MW561.93 g/mol
LogP6.60
Rot. Bonds2

About chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline

chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline (PubChem CID 21024818) has the molecular formula C24H15ClN2Pt and a molecular weight of 561.93 g/mol. Its IUPAC name is chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline.

Molecular Properties

Compound Namechloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
PubChem CID21024818
Molecular FormulaC24H15ClN2Pt
Molecular Weight561.93 g/mol
Exact Mass561.06
IUPAC Namechloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
SMILESCl[Pt+].[c-]1c(-c2nccc3ccccc23)cccc1-c1nccc2ccccc12
InChIInChI=1S/C24H15N2.ClH.Pt/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24;;/h1-15H;1H;/q-1;;+2/p-1
InChIKeyQQZMYWRNQGZREN-UHFFFAOYSA-M
XLogP6.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.93
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
CID 59404042
1-(4-fluorobenzene-6-id-1-yl)isoquinoline
CID 102348692
CID 59340244
CID 59340244
platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
CID 153429196
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)
CID 58233109
benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
CID 21024832
1-(4-ethylphenyl)isoquinoline
CID 58184660
iridium(3+);1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine
CID 59702665
1-(3-propan-2-ylbenzene-6-id-1-yl)isoquinoline
CID 102348703
iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 58986707

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline?
The IUPAC name of chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline (CID 21024818) is chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline.
What is the SMILES notation for chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline?
The canonical SMILES for chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline is Cl[Pt+].[c-]1c(-c2nccc3ccccc23)cccc1-c1nccc2ccccc12.
What is the InChIKey of chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline?
The InChIKey is QQZMYWRNQGZREN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H15N2.ClH.Pt/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24;;/h1-15H;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline?
chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline has a molecular weight of 561.93 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline is sourced from PubChem (CID 21024818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).