4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine

C28H20ClNOTe — CID 122383888

IUPAC4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine
SMILESCc1ccc(/N=c2\oc(-c3ccccc3)c([Te]c3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H20ClNOTe/c1-19-11-15-22(16-12-19)30-28-25-10-6-5-9-24(25)27(32-23-17-13-21(29)14-18-23)26(31-28)20-7-3-2-4-8-20/h2-18H,1H3/b30-28-
InChIKeyFOGCDURVAVPCME-HYOGKJQXSA-N
MW549.53 g/mol
LogP5.95
Rot. Bonds4

About 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine

4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine (PubChem CID 122383888) has the molecular formula C28H20ClNOTe and a molecular weight of 549.53 g/mol. Its IUPAC name is 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine
PubChem CID122383888
Molecular FormulaC28H20ClNOTe
Molecular Weight549.53 g/mol
Exact Mass551.03
IUPAC Name4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine
SMILESCc1ccc(/N=c2\oc(-c3ccccc3)c([Te]c3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H20ClNOTe/c1-19-11-15-22(16-12-19)30-28-25-10-6-5-9-24(25)27(32-23-17-13-21(29)14-18-23)26(31-28)20-7-3-2-4-8-20/h2-18H,1H3/b30-28-
InChIKeyFOGCDURVAVPCME-HYOGKJQXSA-N
XLogP5.95
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-3-(4-methylphenyl)tellanyl-1-benzofuran
CID 177419881
N-(4-methylphenyl)-3-phenylisochromen-1-imine
CID 44623219
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
1-chloro-4-methylbenzene;zinc
CID 174694335
1-chloro-4-methylbenzene;styrene
CID 158372531
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline
CID 101491869
5-chloro-3-(4-methylphenyl)-2-benzofuran-1-carboxylic acid
CID 67797689
benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
CID 158703985
2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine?
The IUPAC name of 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine (CID 122383888) is 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine.
What is the SMILES notation for 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine?
The canonical SMILES for 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine is Cc1ccc(/N=c2\oc(-c3ccccc3)c([Te]c3ccc(Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine?
The InChIKey is FOGCDURVAVPCME-HYOGKJQXSA-N. The full InChI is InChI=1S/C28H20ClNOTe/c1-19-11-15-22(16-12-19)30-28-25-10-6-5-9-24(25)27(32-23-17-13-21(29)14-18-23)26(31-28)20-7-3-2-4-8-20/h2-18H,1H3/b30-28-.
What are the key properties of 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine?
4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine has a molecular weight of 549.53 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine is sourced from PubChem (CID 122383888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).