iridium;1-(3-methylphenyl)-5-phenyltetrazole

C14H11IrN4- — CID 59661501

IUPACiridium;1-(3-methylphenyl)-5-phenyltetrazole
SMILESCc1cccc(-n2nnnc2-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C14H11N4.Ir/c1-11-6-5-9-13(10-11)18-14(15-16-17-18)12-7-3-2-4-8-12;/h2-7,9-10H,1H3;/q-1;
InChIKeyWDAPLWDDBGXDAL-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.44
Rot. Bonds2

About iridium;1-(3-methylphenyl)-5-phenyltetrazole

iridium;1-(3-methylphenyl)-5-phenyltetrazole (PubChem CID 59661501) has the molecular formula C14H11IrN4- and a molecular weight of 427.49 g/mol. Its IUPAC name is iridium;1-(3-methylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Nameiridium;1-(3-methylphenyl)-5-phenyltetrazole
PubChem CID59661501
Molecular FormulaC14H11IrN4-
Molecular Weight427.49 g/mol
Exact Mass428.06
IUPAC Nameiridium;1-(3-methylphenyl)-5-phenyltetrazole
SMILESCc1cccc(-n2nnnc2-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C14H11N4.Ir/c1-11-6-5-9-13(10-11)18-14(15-16-17-18)12-7-3-2-4-8-12;/h2-7,9-10H,1H3;/q-1;
InChIKeyWDAPLWDDBGXDAL-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.44
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

1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium
CID 155613312
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
CID 829550
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376804
5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
CID 122207425
4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376405
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009741
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine
CID 102585565
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275

Frequently Asked Questions

What is the IUPAC name of iridium;1-(3-methylphenyl)-5-phenyltetrazole?
The IUPAC name of iridium;1-(3-methylphenyl)-5-phenyltetrazole (CID 59661501) is iridium;1-(3-methylphenyl)-5-phenyltetrazole.
What is the SMILES notation for iridium;1-(3-methylphenyl)-5-phenyltetrazole?
The canonical SMILES for iridium;1-(3-methylphenyl)-5-phenyltetrazole is Cc1cccc(-n2nnnc2-c2[c-]cccc2)c1.[Ir].
What is the InChIKey of iridium;1-(3-methylphenyl)-5-phenyltetrazole?
The InChIKey is WDAPLWDDBGXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4.Ir/c1-11-6-5-9-13(10-11)18-14(15-16-17-18)12-7-3-2-4-8-12;/h2-7,9-10H,1H3;/q-1;.
What are the key properties of iridium;1-(3-methylphenyl)-5-phenyltetrazole?
iridium;1-(3-methylphenyl)-5-phenyltetrazole has a molecular weight of 427.49 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(3-methylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 59661501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).