1,1-dimethyl-3-phenylisoindole;iridium

C16H14IrN- — CID 21063359

IUPAC1,1-dimethyl-3-phenylisoindole;iridium
SMILESCC1(C)N=C(c2[c-]cccc2)c2ccccc21.[Ir]
InChIInChI=1S/C16H14N.Ir/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12;/h3-8,10-11H,1-2H3;/q-1;
InChIKeyWITLHHWIZDZACA-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.57
Rot. Bonds1

About 1,1-dimethyl-3-phenylisoindole;iridium

1,1-dimethyl-3-phenylisoindole;iridium (PubChem CID 21063359) has the molecular formula C16H14IrN- and a molecular weight of 412.51 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenylisoindole;iridium.

Molecular Properties

Compound Name1,1-dimethyl-3-phenylisoindole;iridium
PubChem CID21063359
Molecular FormulaC16H14IrN-
Molecular Weight412.51 g/mol
Exact Mass413.08
IUPAC Name1,1-dimethyl-3-phenylisoindole;iridium
SMILESCC1(C)N=C(c2[c-]cccc2)c2ccccc21.[Ir]
InChIInChI=1S/C16H14N.Ir/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12;/h3-8,10-11H,1-2H3;/q-1;
InChIKeyWITLHHWIZDZACA-UHFFFAOYSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.57
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

4,4-dimethyl-1-phenyl-3H-isoquinoline;iridium
CID 58983011
iridium;phenylbenzene
CID 58599975
3,3-dimethyl-2-phenylindole;iridium
CID 21014664
iridium;3,3,4,4-tetramethyl-2-phenylquinoline
CID 58982990
4,4-dimethyl-2-phenyl-1,3-thiazin-5-one;iridium
CID 58983176
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
CID 164734122
CID 164734122
lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole
CID 134844683
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056
ethane;palladium;2-phenylaniline
CID 176694795
N-methyl-2-phenylaniline;palladium
CID 142737599

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-phenylisoindole;iridium?
The IUPAC name of 1,1-dimethyl-3-phenylisoindole;iridium (CID 21063359) is 1,1-dimethyl-3-phenylisoindole;iridium.
What is the SMILES notation for 1,1-dimethyl-3-phenylisoindole;iridium?
The canonical SMILES for 1,1-dimethyl-3-phenylisoindole;iridium is CC1(C)N=C(c2[c-]cccc2)c2ccccc21.[Ir].
What is the InChIKey of 1,1-dimethyl-3-phenylisoindole;iridium?
The InChIKey is WITLHHWIZDZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N.Ir/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12;/h3-8,10-11H,1-2H3;/q-1;.
What are the key properties of 1,1-dimethyl-3-phenylisoindole;iridium?
1,1-dimethyl-3-phenylisoindole;iridium has a molecular weight of 412.51 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenylisoindole;iridium is sourced from PubChem (CID 21063359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).