2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium

C23H24IrN- — CID 153419838

IUPAC2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium
SMILESCc1cccc(C)c1-c1ccc(-c2[c-]cc(C(C)(C)C)cc2)nc1.[Ir]
InChIInChI=1S/C23H24N.Ir/c1-16-7-6-8-17(2)22(16)19-11-14-21(24-15-19)18-9-12-20(13-10-18)23(3,4)5;/h6-9,11-15H,1-5H3;/q-1;
InChIKeyUXESWHCXONUCEP-UHFFFAOYSA-N
MW506.67 g/mol
LogP6.13
Rot. Bonds2

About 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium

2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium (PubChem CID 153419838) has the molecular formula C23H24IrN- and a molecular weight of 506.67 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium.

Molecular Properties

Compound Name2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium
PubChem CID153419838
Molecular FormulaC23H24IrN-
Molecular Weight506.67 g/mol
Exact Mass507.15
IUPAC Name2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium
SMILESCc1cccc(C)c1-c1ccc(-c2[c-]cc(C(C)(C)C)cc2)nc1.[Ir]
InChIInChI=1S/C23H24N.Ir/c1-16-7-6-8-17(2)22(16)19-11-14-21(24-15-19)18-9-12-20(13-10-18)23(3,4)5;/h6-9,11-15H,1-5H3;/q-1;
InChIKeyUXESWHCXONUCEP-UHFFFAOYSA-N
XLogP6.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2,6-dimethylphenyl)-2-[4-(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine;iridium
CID 171746784
platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
CID 58939495
2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium
CID 155602228
2-[4-[2-(3,5-dimethylphenyl)-3-[4-[5-[2-(3,5-dimethylphenyl)phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;bis(iridium)
CID 153422727
5-tert-butyl-2-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58261681
4-(4-tert-butylphenyl)-2-chloro-6-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58280757
5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 167357599
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2,2,2-trifluoroethane-1,1-diol
CID 20870829
iridium;4-methyl-3-phenyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine
CID 168822117
2-[6-[4-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium(3+);bis(2-phenylpyridine)
CID 59156336
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium?
The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium (CID 153419838) is 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium.
What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium?
The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium is Cc1cccc(C)c1-c1ccc(-c2[c-]cc(C(C)(C)C)cc2)nc1.[Ir].
What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium?
The InChIKey is UXESWHCXONUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N.Ir/c1-16-7-6-8-17(2)22(16)19-11-14-21(24-15-19)18-9-12-20(13-10-18)23(3,4)5;/h6-9,11-15H,1-5H3;/q-1;.
What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium?
2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium has a molecular weight of 506.67 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium is sourced from PubChem (CID 153419838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).