iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol

C69H63IrN3O-2 — CID 171438625

IUPACiridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(-c2[c-]cccc2)nc(-c2ccccc2O)c1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C35H32NO.C34H31N2.Ir/c1-23(2)30-19-27(25-13-7-5-8-14-25)20-31(24(3)4)35(30)28-21-32(26-15-9-6-10-16-26)36-33(22-28)29-17-11-12-18-34(29)37;1-23(2)30-21-26(25-12-6-5-7-13-25)22-31(24(3)4)34(30)29-19-27(32-14-8-10-16-35-32)18-28(20-29)33-15-9-11-17-36-33;/h5-15,17-24,37H,1-4H3;5-17,19-24H,1-4H3;/q2*-1;
InChIKeySLNISTGOARSTRL-UHFFFAOYSA-N
MW1142.50 g/mol
LogP18.69
Rot. Bonds12

About iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol

iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol (PubChem CID 171438625) has the molecular formula C69H63IrN3O-2 and a molecular weight of 1142.50 g/mol. Its IUPAC name is iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Nameiridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
PubChem CID171438625
Molecular FormulaC69H63IrN3O-2
Molecular Weight1142.50 g/mol
Exact Mass1142.46
IUPAC Nameiridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(-c2[c-]cccc2)nc(-c2ccccc2O)c1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C35H32NO.C34H31N2.Ir/c1-23(2)30-19-27(25-13-7-5-8-14-25)20-31(24(3)4)35(30)28-21-32(26-15-9-6-10-16-26)36-33(22-28)29-17-11-12-18-34(29)37;1-23(2)30-21-26(25-12-6-5-7-13-25)22-31(24(3)4)34(30)29-19-27(32-14-8-10-16-35-32)18-28(20-29)33-15-9-11-17-36-33;/h5-15,17-24,37H,1-4H3;5-17,19-24H,1-4H3;/q2*-1;
InChIKeySLNISTGOARSTRL-UHFFFAOYSA-N
XLogP18.69
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.50
LogP ≤ 518.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol with MolForge

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Related Compounds

2-[3-(2-hydroxyphenyl)-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]phenol;iridium;2-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
CID 171438712
iridium(3+);2-[3-phenyl-6-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]phenol;2-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
CID 171438785
iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
CID 168799288
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388065
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
iridium;5-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426870
2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499003
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426884
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 171438813
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 167387978
tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine
CID 162040974

Frequently Asked Questions

What is the IUPAC name of iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol (CID 171438625) is iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(-c2[c-]cccc2)nc(-c2ccccc2O)c1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Ir].
What is the InChIKey of iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol?
The InChIKey is SLNISTGOARSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32NO.C34H31N2.Ir/c1-23(2)30-19-27(25-13-7-5-8-14-25)20-31(24(3)4)35(30)28-21-32(26-15-9-6-10-16-26)36-33(22-28)29-17-11-12-18-34(29)37;1-23(2)30-21-26(25-12-6-5-7-13-25)22-31(24(3)4)34(30)29-19-27(32-14-8-10-16-35-32)18-28(20-29)33-15-9-11-17-36-33;/h5-15,17-24,37H,1-4H3;5-17,19-24H,1-4H3;/q2*-1;.
What are the key properties of iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol?
iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol has a molecular weight of 1142.50 g/mol, XLogP of 18.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 171438625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).