1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium

C19H21IrN4- — CID 155613312

IUPAC1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium
SMILESCC(C)c1cccc(C(C)C)c1-n1nnnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C19H21N4.Ir/c1-13(2)16-11-8-12-17(14(3)4)18(16)23-19(20-21-22-23)15-9-6-5-7-10-15;/h5-9,11-14H,1-4H3;/q-1;
InChIKeyKENATLWTKCRPNK-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.37
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium

1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium (PubChem CID 155613312) has the molecular formula C19H21IrN4- and a molecular weight of 497.62 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium
PubChem CID155613312
Molecular FormulaC19H21IrN4-
Molecular Weight497.62 g/mol
Exact Mass498.14
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium
SMILESCC(C)c1cccc(C(C)C)c1-n1nnnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C19H21N4.Ir/c1-13(2)16-11-8-12-17(14(3)4)18(16)23-19(20-21-22-23)15-9-6-5-7-10-15;/h5-9,11-14H,1-4H3;/q-1;
InChIKeyKENATLWTKCRPNK-UHFFFAOYSA-N
XLogP4.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;1-(3-methylphenyl)-5-phenyltetrazole
CID 59661501
1-(2,6-dimethylphenyl)-7-[2,6-di(propan-2-yl)phenyl]-2-methyl-6-phenylimidazo[4,5-c]azaborinine;iridium
CID 166043743
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
12-[2,6-di(propan-2-yl)phenyl]-13-phenyl-16-oxa-12,14-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),13-heptaene;iridium
CID 153300411
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 59546936
1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole;iridium;5-methyl-6-phenyl-5,7,15-triazaheptacyclo[13.10.1.02,14.03,11.04,8.016,21.022,26]hexacosa-1(25),2(14),3(11),4(8),6,9,12,16,18,20,22(26),23-dodecaene
CID 176796334
1,2-bis(2,6-dimethylphenyl)-3-pyridin-2-yl-4H-1,3,2-benzodiazaborol-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 156623127
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 140582460
4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole;iridium
CID 140599983
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
iridium;phenylbenzene
CID 58599975

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium (CID 155613312) is 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium is CC(C)c1cccc(C(C)C)c1-n1nnnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium?
The InChIKey is KENATLWTKCRPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N4.Ir/c1-13(2)16-11-8-12-17(14(3)4)18(16)23-19(20-21-22-23)15-9-6-5-7-10-15;/h5-9,11-14H,1-4H3;/q-1;.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium?
1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium has a molecular weight of 497.62 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium is sourced from PubChem (CID 155613312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).