10-(3,5-dimethylphenyl)-3-iodophenoxazine

C20H16INO — CID 145383930

IUPAC10-(3,5-dimethylphenyl)-3-iodophenoxazine
SMILESCc1cc(C)cc(N2c3ccccc3Oc3cc(I)ccc32)c1
InChIInChI=1S/C20H16INO/c1-13-9-14(2)11-16(10-13)22-17-5-3-4-6-19(17)23-20-12-15(21)7-8-18(20)22/h3-12H,1-2H3
InChIKeyPMTVHFDRQGSVJB-UHFFFAOYSA-N
MW413.26 g/mol
LogP6.48
Rot. Bonds1

About 10-(3,5-dimethylphenyl)-3-iodophenoxazine

10-(3,5-dimethylphenyl)-3-iodophenoxazine (PubChem CID 145383930) has the molecular formula C20H16INO and a molecular weight of 413.26 g/mol. Its IUPAC name is 10-(3,5-dimethylphenyl)-3-iodophenoxazine.

Molecular Properties

Compound Name10-(3,5-dimethylphenyl)-3-iodophenoxazine
PubChem CID145383930
Molecular FormulaC20H16INO
Molecular Weight413.26 g/mol
Exact Mass413.03
IUPAC Name10-(3,5-dimethylphenyl)-3-iodophenoxazine
SMILESCc1cc(C)cc(N2c3ccccc3Oc3cc(I)ccc32)c1
InChIInChI=1S/C20H16INO/c1-13-9-14(2)11-16(10-13)22-17-5-3-4-6-19(17)23-20-12-15(21)7-8-18(20)22/h3-12H,1-2H3
InChIKeyPMTVHFDRQGSVJB-UHFFFAOYSA-N
XLogP6.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
ethane;10-phenylphenoxazine
CID 123756019
3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
CID 129291729
10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine
CID 160605107
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine
CID 141411363
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
10-[3,5-bis(3-butyl-5-methylphenyl)phenyl]phenoxazine
CID 58251245
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
CID 59572426
9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
CID 59573255
10-(3,5-diisocyanophenyl)phenoxazine
CID 159346835

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-dimethylphenyl)-3-iodophenoxazine?
The IUPAC name of 10-(3,5-dimethylphenyl)-3-iodophenoxazine (CID 145383930) is 10-(3,5-dimethylphenyl)-3-iodophenoxazine.
What is the SMILES notation for 10-(3,5-dimethylphenyl)-3-iodophenoxazine?
The canonical SMILES for 10-(3,5-dimethylphenyl)-3-iodophenoxazine is Cc1cc(C)cc(N2c3ccccc3Oc3cc(I)ccc32)c1.
What is the InChIKey of 10-(3,5-dimethylphenyl)-3-iodophenoxazine?
The InChIKey is PMTVHFDRQGSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16INO/c1-13-9-14(2)11-16(10-13)22-17-5-3-4-6-19(17)23-20-12-15(21)7-8-18(20)22/h3-12H,1-2H3.
What are the key properties of 10-(3,5-dimethylphenyl)-3-iodophenoxazine?
10-(3,5-dimethylphenyl)-3-iodophenoxazine has a molecular weight of 413.26 g/mol, XLogP of 6.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-dimethylphenyl)-3-iodophenoxazine is sourced from PubChem (CID 145383930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).