iridium;1-phenyl-3-propylisoquinoline

C18H16IrN- — CID 58850587

IUPACiridium;1-phenyl-3-propylisoquinoline
SMILESCCCc1cc2ccccc2c(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C18H16N.Ir/c1-2-8-16-13-15-11-6-7-12-17(15)18(19-16)14-9-4-3-5-10-14;/h3-7,9,11-13H,2,8H2,1H3;/q-1;
InChIKeyIWLXRLAUWNLSSO-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.65
Rot. Bonds3

About iridium;1-phenyl-3-propylisoquinoline

iridium;1-phenyl-3-propylisoquinoline (PubChem CID 58850587) has the molecular formula C18H16IrN- and a molecular weight of 438.55 g/mol. Its IUPAC name is iridium;1-phenyl-3-propylisoquinoline.

Molecular Properties

Compound Nameiridium;1-phenyl-3-propylisoquinoline
PubChem CID58850587
Molecular FormulaC18H16IrN-
Molecular Weight438.55 g/mol
Exact Mass439.09
IUPAC Nameiridium;1-phenyl-3-propylisoquinoline
SMILESCCCc1cc2ccccc2c(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C18H16N.Ir/c1-2-8-16-13-15-11-6-7-12-17(15)18(19-16)14-9-4-3-5-10-14;/h3-7,9,11-13H,2,8H2,1H3;/q-1;
InChIKeyIWLXRLAUWNLSSO-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-propylisoquinoline
CID 119093749
3-hexyl-1-(4-methylphenyl)isoquinoline
CID 139263476
3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)
CID 140824228
tert-butyl-[2-[C-tert-butyl-N-[(1-phenylisoquinolin-3-yl)methyl]carbonimidoyl]phenyl]azanide;platinum(2+)
CID 164739866
1-chloro-3-phenylisoquinoline;tungsten
CID 59216563
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
CID 59340250
CID 59340250
CID 59865379
CID 59865379
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
3-ethyl-1-naphthalen-1-ylisoquinoline
CID 140508160
(1-propylisoquinolin-3-yl)methanamine
CID 83527844
3-but-3-enyl-1-(4-methylphenyl)isoquinoline
CID 175496086

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-propylisoquinoline?
The IUPAC name of iridium;1-phenyl-3-propylisoquinoline (CID 58850587) is iridium;1-phenyl-3-propylisoquinoline.
What is the SMILES notation for iridium;1-phenyl-3-propylisoquinoline?
The canonical SMILES for iridium;1-phenyl-3-propylisoquinoline is CCCc1cc2ccccc2c(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;1-phenyl-3-propylisoquinoline?
The InChIKey is IWLXRLAUWNLSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N.Ir/c1-2-8-16-13-15-11-6-7-12-17(15)18(19-16)14-9-4-3-5-10-14;/h3-7,9,11-13H,2,8H2,1H3;/q-1;.
What are the key properties of iridium;1-phenyl-3-propylisoquinoline?
iridium;1-phenyl-3-propylisoquinoline has a molecular weight of 438.55 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-3-propylisoquinoline is sourced from PubChem (CID 58850587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).