iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine

C24H19IrN2- — CID 140595043

IUPACiridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
SMILESCc1ccc(N(c2ccccc2)c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir]
InChIInChI=1S/C24H19N2.Ir/c1-19-13-15-22(16-14-19)26(21-9-3-2-4-10-21)23-11-7-8-20(18-23)24-12-5-6-17-25-24;/h2-7,9-18H,1H3;/q-1;
InChIKeyRVVJGIOCDBZZAP-UHFFFAOYSA-N
MW527.65 g/mol
LogP6.32
Rot. Bonds4

About iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine

iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine (PubChem CID 140595043) has the molecular formula C24H19IrN2- and a molecular weight of 527.65 g/mol. Its IUPAC name is iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine.

Molecular Properties

Compound Nameiridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
PubChem CID140595043
Molecular FormulaC24H19IrN2-
Molecular Weight527.65 g/mol
Exact Mass528.12
IUPAC Nameiridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
SMILESCc1ccc(N(c2ccccc2)c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir]
InChIInChI=1S/C24H19N2.Ir/c1-19-13-15-22(16-14-19)26(21-9-3-2-4-10-21)23-11-7-8-20(18-23)24-12-5-6-17-25-24;/h2-7,9-18H,1H3;/q-1;
InChIKeyRVVJGIOCDBZZAP-UHFFFAOYSA-N
XLogP6.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-methylphenyl)-3-pyridin-2-ylbenzene-4-id-1-amine;iridium
CID 21042165
N,N-diphenyl-4-[5-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline;iridium;2-phenylpyridine
CID 157108180
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338
4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylphenyl)phenyl]aniline;iridium;2-phenylpyridine
CID 58225145
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
iridium;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793250
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383

Frequently Asked Questions

What is the IUPAC name of iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine?
The IUPAC name of iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine (CID 140595043) is iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine.
What is the SMILES notation for iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine?
The canonical SMILES for iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine is Cc1ccc(N(c2ccccc2)c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].
What is the InChIKey of iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine?
The InChIKey is RVVJGIOCDBZZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2.Ir/c1-19-13-15-22(16-14-19)26(21-9-3-2-4-10-21)23-11-7-8-20(18-23)24-12-5-6-17-25-24;/h2-7,9-18H,1H3;/q-1;.
What are the key properties of iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine?
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine has a molecular weight of 527.65 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine is sourced from PubChem (CID 140595043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).