iridium;4-phenyl-1-phenylisoquinoline

C21H14IrN- — CID 58240172

IUPACiridium;4-phenyl-1-phenylisoquinoline
SMILES[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H14N.Ir/c1-3-9-16(10-4-1)20-15-22-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;/h1-11,13-15H;/q-1;
InChIKeyKOROGBRVZJUTTO-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.37
Rot. Bonds2

About iridium;4-phenyl-1-phenylisoquinoline

iridium;4-phenyl-1-phenylisoquinoline (PubChem CID 58240172) has the molecular formula C21H14IrN- and a molecular weight of 472.57 g/mol. Its IUPAC name is iridium;4-phenyl-1-phenylisoquinoline.

Molecular Properties

Compound Nameiridium;4-phenyl-1-phenylisoquinoline
PubChem CID58240172
Molecular FormulaC21H14IrN-
Molecular Weight472.57 g/mol
Exact Mass473.08
IUPAC Nameiridium;4-phenyl-1-phenylisoquinoline
SMILES[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H14N.Ir/c1-3-9-16(10-4-1)20-15-22-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;/h1-11,13-15H;/q-1;
InChIKeyKOROGBRVZJUTTO-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.37
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

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(Z)-4-hydroxypent-3-en-2-one;iridium;12-phenyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 154625632
3,5-dimethyl-2-phenylpyrazine;iridium
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iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline
CID 140786243
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;4-methyl-1-phenylisoquinoline;2,2,5,5-tetramethyl-1,3,3a,4,6,6a-hexahydropentalene-1,6-diol
CID 170528016
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-4,5-diol;iridium;4-methyl-1-phenylisoquinoline
CID 170527732

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-1-phenylisoquinoline?
The IUPAC name of iridium;4-phenyl-1-phenylisoquinoline (CID 58240172) is iridium;4-phenyl-1-phenylisoquinoline.
What is the SMILES notation for iridium;4-phenyl-1-phenylisoquinoline?
The canonical SMILES for iridium;4-phenyl-1-phenylisoquinoline is [Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)c2ccccc12.
What is the InChIKey of iridium;4-phenyl-1-phenylisoquinoline?
The InChIKey is KOROGBRVZJUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N.Ir/c1-3-9-16(10-4-1)20-15-22-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;/h1-11,13-15H;/q-1;.
What are the key properties of iridium;4-phenyl-1-phenylisoquinoline?
iridium;4-phenyl-1-phenylisoquinoline has a molecular weight of 472.57 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-1-phenylisoquinoline is sourced from PubChem (CID 58240172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).