tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)

C63H63IrN3+3 — CID 161156371

IUPACtris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.[Ir+3]
InChIInChI=1S/3C21H21N.Ir/c3*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h3*4-15H,1-3H3;/q;;;+3
InChIKeyUPIQTSDVVZFVBI-UHFFFAOYSA-N
MW1054.44 g/mol
LogP17.14
Rot. Bonds6

About tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)

tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+) (PubChem CID 161156371) has the molecular formula C63H63IrN3+3 and a molecular weight of 1054.44 g/mol. Its IUPAC name is tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+).

Molecular Properties

Compound Nametris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
PubChem CID161156371
Molecular FormulaC63H63IrN3+3
Molecular Weight1054.44 g/mol
Exact Mass1054.46
IUPAC Nametris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.[Ir+3]
InChIInChI=1S/3C21H21N.Ir/c3*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h3*4-15H,1-3H3;/q;;;+3
InChIKeyUPIQTSDVVZFVBI-UHFFFAOYSA-N
XLogP17.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.44
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
[2-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-phenylbenzoyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-(3-phenylphenyl)methanone;iridium(3+)
CID 140838402
dimethyl-phenyl-[2-(3-phenylphenyl)-4-pyridinyl]germane
CID 140726269
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510

Frequently Asked Questions

What is the IUPAC name of tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)?
The IUPAC name of tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+) (CID 161156371) is tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+).
What is the SMILES notation for tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)?
The canonical SMILES for tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+) is CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.[Ir+3].
What is the InChIKey of tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)?
The InChIKey is UPIQTSDVVZFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H21N.Ir/c3*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h3*4-15H,1-3H3;/q;;;+3.
What are the key properties of tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)?
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+) has a molecular weight of 1054.44 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+) is sourced from PubChem (CID 161156371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).