iridium;3,3,4,4-tetramethyl-2-phenylquinoline

C19H20IrN- — CID 58982990

IUPACiridium;3,3,4,4-tetramethyl-2-phenylquinoline
SMILESCC1(C)C(c2[c-]cccc2)=Nc2ccccc2C1(C)C.[Ir]
InChIInChI=1S/C19H20N.Ir/c1-18(2)15-12-8-9-13-16(15)20-17(19(18,3)4)14-10-6-5-7-11-14;/h5-10,12-13H,1-4H3;/q-1;
InChIKeyHNFVQEWOBCINFJ-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.92
Rot. Bonds1

About iridium;3,3,4,4-tetramethyl-2-phenylquinoline

iridium;3,3,4,4-tetramethyl-2-phenylquinoline (PubChem CID 58982990) has the molecular formula C19H20IrN- and a molecular weight of 454.59 g/mol. Its IUPAC name is iridium;3,3,4,4-tetramethyl-2-phenylquinoline.

Molecular Properties

Compound Nameiridium;3,3,4,4-tetramethyl-2-phenylquinoline
PubChem CID58982990
Molecular FormulaC19H20IrN-
Molecular Weight454.59 g/mol
Exact Mass455.12
IUPAC Nameiridium;3,3,4,4-tetramethyl-2-phenylquinoline
SMILESCC1(C)C(c2[c-]cccc2)=Nc2ccccc2C1(C)C.[Ir]
InChIInChI=1S/C19H20N.Ir/c1-18(2)15-12-8-9-13-16(15)20-17(19(18,3)4)14-10-6-5-7-11-14;/h5-10,12-13H,1-4H3;/q-1;
InChIKeyHNFVQEWOBCINFJ-UHFFFAOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.92
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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CID 21014664
iridium;phenylbenzene
CID 58599975
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CID 58983011
1,1-dimethyl-3-phenylisoindole;iridium
CID 21063359
2,2-dimethyl-3-phenyl-1,4-benzoxazine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58983140
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
3,3-dimethyl-2-phenylindole;ethane
CID 90996712
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
bis(2,3,3-trimethylindole);dihydrobromide
CID 175169971
CID 59865379
CID 59865379

Frequently Asked Questions

What is the IUPAC name of iridium;3,3,4,4-tetramethyl-2-phenylquinoline?
The IUPAC name of iridium;3,3,4,4-tetramethyl-2-phenylquinoline (CID 58982990) is iridium;3,3,4,4-tetramethyl-2-phenylquinoline.
What is the SMILES notation for iridium;3,3,4,4-tetramethyl-2-phenylquinoline?
The canonical SMILES for iridium;3,3,4,4-tetramethyl-2-phenylquinoline is CC1(C)C(c2[c-]cccc2)=Nc2ccccc2C1(C)C.[Ir].
What is the InChIKey of iridium;3,3,4,4-tetramethyl-2-phenylquinoline?
The InChIKey is HNFVQEWOBCINFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N.Ir/c1-18(2)15-12-8-9-13-16(15)20-17(19(18,3)4)14-10-6-5-7-11-14;/h5-10,12-13H,1-4H3;/q-1;.
What are the key properties of iridium;3,3,4,4-tetramethyl-2-phenylquinoline?
iridium;3,3,4,4-tetramethyl-2-phenylquinoline has a molecular weight of 454.59 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3,3,4,4-tetramethyl-2-phenylquinoline is sourced from PubChem (CID 58982990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).