iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile

C37H25IrN3O-2 — CID 162505740

IUPACiridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile
SMILESCc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)c(C#N)ccc23)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C25H15N2O.C12H10N.Ir/c1-16-12-13-27-22(14-16)21-9-5-8-19-20-11-10-18(15-26)23(25(20)28-24(19)21)17-6-3-2-4-7-17;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-8,10-14H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyVNVFRKIAIMZIFQ-UHFFFAOYSA-N
MW719.84 g/mol
LogP9.15
Rot. Bonds3

About iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile

iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile (PubChem CID 162505740) has the molecular formula C37H25IrN3O-2 and a molecular weight of 719.84 g/mol. Its IUPAC name is iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile.

Molecular Properties

Compound Nameiridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile
PubChem CID162505740
Molecular FormulaC37H25IrN3O-2
Molecular Weight719.84 g/mol
Exact Mass720.16
IUPAC Nameiridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile
SMILESCc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)c(C#N)ccc23)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C25H15N2O.C12H10N.Ir/c1-16-12-13-27-22(14-16)21-9-5-8-19-20-11-10-18(15-26)23(25(20)28-24(19)21)17-6-3-2-4-7-17;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-8,10-14H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyVNVFRKIAIMZIFQ-UHFFFAOYSA-N
XLogP9.15
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;4-methyl-2-phenylpyridine
CID 164798094
6-[6-deuterio-4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;pentakis(iridium);bis(4-methyl-2-phenylpyridine);5-methyl-2-phenylpyridine;tris(6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile);bis(2-phenylpyridine);4-phenyl-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 163527375
iridium;5-methyl-2-phenylpyridine;4-[3-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 165386049
iridium;6-[4-[methyl-di(propan-2-yl)silyl]-5-(trideuteriomethyl)-2-pyridinyl]-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;2-phenylpyridine
CID 172542755
6-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;5-tert-butyl-2-phenylpyridine;iridium
CID 169282640
6-[5-[2-[3,5-bis[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-pyridinyl]-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)
CID 170930916
5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
CID 168774915
5-tert-butyl-2-phenylpyridine;iridium;4-phenanthren-2-yl-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 169077041
5-tert-butyl-2-phenylpyridine;iridium;6-pyridin-2-yl-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7H-dibenzofuran-7-ide-3-carbonitrile
CID 167365946
6-[5-tert-butyl-4-[difluoro(trimethylsilyl)methyl]-2-pyridinyl]-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;[2,2-dideuterio-1,1-difluoro-2-[2-phenyl-5-(trideuteriomethyl)-4-pyridinyl]ethyl]-trimethylsilane;iridium
CID 170533881
iridium;4-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686775
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 155625049

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile?
The IUPAC name of iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile (CID 162505740) is iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile.
What is the SMILES notation for iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile?
The canonical SMILES for iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile is Cc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)c(C#N)ccc23)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].
What is the InChIKey of iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile?
The InChIKey is VNVFRKIAIMZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N2O.C12H10N.Ir/c1-16-12-13-27-22(14-16)21-9-5-8-19-20-11-10-18(15-26)23(25(20)28-24(19)21)17-6-3-2-4-7-17;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-8,10-14H,1H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile?
iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile has a molecular weight of 719.84 g/mol, XLogP of 9.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile is sourced from PubChem (CID 162505740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).