iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine

C35H23IrN3O-2 — CID 135975731

IUPACiridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
SMILESOc1ccccc1-c1ccc2ccc3cccnc3c2n1.[Ir].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1
InChIInChI=1S/C18H12N2O.C17H11N.Ir/c21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;/h1-11,21H;1-7,9-12H;/q;-2;
InChIKeyUCRMMRPSUFSJRV-UHFFFAOYSA-N
MW693.81 g/mol
LogP8.17
Rot. Bonds3

About iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine

iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine (PubChem CID 135975731) has the molecular formula C35H23IrN3O-2 and a molecular weight of 693.81 g/mol. Its IUPAC name is iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
PubChem CID135975731
Molecular FormulaC35H23IrN3O-2
Molecular Weight693.81 g/mol
Exact Mass694.15
IUPAC Nameiridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
SMILESOc1ccccc1-c1ccc2ccc3cccnc3c2n1.[Ir].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1
InChIInChI=1S/C18H12N2O.C17H11N.Ir/c21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;/h1-11,21H;1-7,9-12H;/q;-2;
InChIKeyUCRMMRPSUFSJRV-UHFFFAOYSA-N
XLogP8.17
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 58672275
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676681
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[3-[4-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676789
4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661
2-[[6-[(2-Hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
CID 136610168
Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
4,4'-Biphenol-1,10-phenanthroline (1/1)
CID 139054123
2,2'-Biphenol-1,10-phenanthroline (1/1)
CID 139056594
Bis{mu~3~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{mu~2~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)
CID 139062343
Benzene-1,2-diolate;palladium(2+);1,10-phenanthroline;dihydrate
CID 139066065
2-Hydroxybenzyl alcohol-phenanthroline (1/1)
CID 139077716
Bis[2-(4-hydroxyphenyl)acetato-kappaO]bis(1,10-phenanthroline-kappa^2^N,N')cadmium pentahydrate
CID 139080489

Frequently Asked Questions

What is the IUPAC name of iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
The IUPAC name of iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine (CID 135975731) is iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine is Oc1ccccc1-c1ccc2ccc3cccnc3c2n1.[Ir].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.
What is the InChIKey of iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
The InChIKey is UCRMMRPSUFSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O.C17H11N.Ir/c21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;/h1-11,21H;1-7,9-12H;/q;-2;.
What are the key properties of iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine has a molecular weight of 693.81 g/mol, XLogP of 8.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(1,10-phenanthrolin-2-yl)phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 135975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).