1-chloro-3-phenylisoquinoline;tungsten

C15H9ClNW- — CID 59216563

IUPAC1-chloro-3-phenylisoquinoline;tungsten
SMILESClc1nc(-c2[c-]cccc2)cc2ccccc12.[W]
InChIInChI=1S/C15H9ClN.W/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11;/h1-6,8-10H;/q-1;
InChIKeyHAIQSJZXEPXWEQ-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.35
Rot. Bonds1

About 1-chloro-3-phenylisoquinoline;tungsten

1-chloro-3-phenylisoquinoline;tungsten (PubChem CID 59216563) has the molecular formula C15H9ClNW- and a molecular weight of 422.54 g/mol. Its IUPAC name is 1-chloro-3-phenylisoquinoline;tungsten.

Molecular Properties

Compound Name1-chloro-3-phenylisoquinoline;tungsten
PubChem CID59216563
Molecular FormulaC15H9ClNW-
Molecular Weight422.54 g/mol
Exact Mass421.99
IUPAC Name1-chloro-3-phenylisoquinoline;tungsten
SMILESClc1nc(-c2[c-]cccc2)cc2ccccc12.[W]
InChIInChI=1S/C15H9ClN.W/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11;/h1-6,8-10H;/q-1;
InChIKeyHAIQSJZXEPXWEQ-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 59622068
chloronickel;2,6-di(phenyl)pyridine
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CID 59622029
CID 59622029
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
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1-chloro-3-propylisoquinoline
CID 119093749
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
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iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506604
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
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CID 159198266
carbanide;2-phenylquinoline;platinum
CID 21044184
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CID 54724512

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-phenylisoquinoline;tungsten?
The IUPAC name of 1-chloro-3-phenylisoquinoline;tungsten (CID 59216563) is 1-chloro-3-phenylisoquinoline;tungsten.
What is the SMILES notation for 1-chloro-3-phenylisoquinoline;tungsten?
The canonical SMILES for 1-chloro-3-phenylisoquinoline;tungsten is Clc1nc(-c2[c-]cccc2)cc2ccccc12.[W].
What is the InChIKey of 1-chloro-3-phenylisoquinoline;tungsten?
The InChIKey is HAIQSJZXEPXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN.W/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11;/h1-6,8-10H;/q-1;.
What are the key properties of 1-chloro-3-phenylisoquinoline;tungsten?
1-chloro-3-phenylisoquinoline;tungsten has a molecular weight of 422.54 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-phenylisoquinoline;tungsten is sourced from PubChem (CID 59216563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).