chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline

C24H15ClN2Pt — CID 59863409

IUPACchloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
SMILESCl[Pt+].[c-]1cc2ccccc2cc1-c1cccc(-c2cc3ccccc3cn2)n1
InChIInChI=1S/C24H15N2.ClH.Pt/c1-2-7-18-14-20(13-12-17(18)6-1)22-10-5-11-23(26-22)24-15-19-8-3-4-9-21(19)16-25-24;;/h1-12,14-16H;1H;/q-1;;+2/p-1
InChIKeyRZFLHCAEJHUOIB-UHFFFAOYSA-M
MW561.93 g/mol
LogP6.60
Rot. Bonds2

About chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline

chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline (PubChem CID 59863409) has the molecular formula C24H15ClN2Pt and a molecular weight of 561.93 g/mol. Its IUPAC name is chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Namechloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
PubChem CID59863409
Molecular FormulaC24H15ClN2Pt
Molecular Weight561.93 g/mol
Exact Mass561.06
IUPAC Namechloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
SMILESCl[Pt+].[c-]1cc2ccccc2cc1-c1cccc(-c2cc3ccccc3cn2)n1
InChIInChI=1S/C24H15N2.ClH.Pt/c1-2-7-18-14-20(13-12-17(18)6-1)22-10-5-11-23(26-22)24-15-19-8-3-4-9-21(19)16-25-24;;/h1-12,14-16H;1H;/q-1;;+2/p-1
InChIKeyRZFLHCAEJHUOIB-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

bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))
CID 25132700
3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
CID 58234805
CID 140756488
CID 140756488
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
6-isoquinolin-3-ylpyridin-3-amine
CID 143968927
3-azulen-2-ylisoquinoline
CID 139326489
3-[3-(4,6-difluoro-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140786199
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786291
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium(3+)
CID 153458082
iridium;3-(3-pyridin-3-ylbenzene-6-id-1-yl)isoquinoline
CID 140786386
3-isoquinolin-3-yl-1-methylisoquinoline
CID 145217265

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
The IUPAC name of chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline (CID 59863409) is chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline.
What is the SMILES notation for chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
The canonical SMILES for chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline is Cl[Pt+].[c-]1cc2ccccc2cc1-c1cccc(-c2cc3ccccc3cn2)n1.
What is the InChIKey of chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
The InChIKey is RZFLHCAEJHUOIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H15N2.ClH.Pt/c1-2-7-18-14-20(13-12-17(18)6-1)22-10-5-11-23(26-22)24-15-19-8-3-4-9-21(19)16-25-24;;/h1-12,14-16H;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]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+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline is sourced from PubChem (CID 59863409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).