5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine

C35H27IrN3O-2 — CID 58616243

IUPAC5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
SMILESOc1ccccc1.[Ir].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1cnc2c(c1)CCc1cccnc1-2
InChIInChI=1S/C17H11N.C12H10N2.C6H6O.Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-6-4-2-1-3-5-6;/h1-7,9-12H;1-4,7-8H,5-6H2;1-5,7H;/q-2;;;
InChIKeyHAZVXFQCVNQJLS-UHFFFAOYSA-N
MW697.84 g/mol
LogP7.65
Rot. Bonds2

About 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine

5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine (PubChem CID 58616243) has the molecular formula C35H27IrN3O-2 and a molecular weight of 697.84 g/mol. Its IUPAC name is 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Name5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
PubChem CID58616243
Molecular FormulaC35H27IrN3O-2
Molecular Weight697.84 g/mol
Exact Mass698.18
IUPAC Name5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
SMILESOc1ccccc1.[Ir].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1cnc2c(c1)CCc1cccnc1-2
InChIInChI=1S/C17H11N.C12H10N2.C6H6O.Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-6-4-2-1-3-5-6;/h1-7,9-12H;1-4,7-8H,5-6H2;1-5,7H;/q-2;;;
InChIKeyHAZVXFQCVNQJLS-UHFFFAOYSA-N
XLogP7.65
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
CID 73345796
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
Fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 159258322
4-(2,5,21-Triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)phenol
CID 137278025
Benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)
CID 139140035
Iridium(3+);tris(3-pyridin-2-ylphenol)
CID 22939729
2-Phenylphenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 57539638
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]methyl]phenol
CID 57806493
Platinum;2-[2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]propan-2-yl]phenol
CID 57806550
Bis(iridium);phenol;bis(2-phenylpyridine)
CID 58163256
Iridium;9-methyl-4-phenyl-9-[(6-phenyl-3-pyridinyl)methyl]-3,17-diazatricyclo[11.3.1.02,7]heptadeca-1(16),2(7),3,5,13(17),14-hexaene;phenol
CID 58203020

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
The IUPAC name of 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine (CID 58616243) is 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine is Oc1ccccc1.[Ir].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1cnc2c(c1)CCc1cccnc1-2.
What is the InChIKey of 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
The InChIKey is HAZVXFQCVNQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N.C12H10N2.C6H6O.Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-6-4-2-1-3-5-6;/h1-7,9-12H;1-4,7-8H,5-6H2;1-5,7H;/q-2;;;.
What are the key properties of 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine?
5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine has a molecular weight of 697.84 g/mol, XLogP of 7.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 58616243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).