2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine

C30H29NO — CID 174289794

IUPAC2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine
SMILESCc1cc(C)cc(-c2ccc3c(c2)N(C)c2cc(-c4cc(C)c(C)c(C)c4)ccc2O3)c1
InChIInChI=1S/C30H29NO/c1-18-11-19(2)13-25(12-18)23-7-9-29-27(16-23)31(6)28-17-24(8-10-30(28)32-29)26-14-20(3)22(5)21(4)15-26/h7-17H,1-6H3
InChIKeyAHMHXUWQMOWDQW-UHFFFAOYSA-N
MW419.57 g/mol
LogP8.44
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine

2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine (PubChem CID 174289794) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine
PubChem CID174289794
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC Name2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine
SMILESCc1cc(C)cc(-c2ccc3c(c2)N(C)c2cc(-c4cc(C)c(C)c(C)c4)ccc2O3)c1
InChIInChI=1S/C30H29NO/c1-18-11-19(2)13-25(12-18)23-7-9-29-27(16-23)31(6)28-17-24(8-10-30(28)32-29)26-14-20(3)22(5)21(4)15-26/h7-17H,1-6H3
InChIKeyAHMHXUWQMOWDQW-UHFFFAOYSA-N
XLogP8.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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12H-Benzo[b]phenoxazine
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12-acetyl-12H-benzo[b]phenoxazine
CID 781104
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4-(4-(2-Methoxyphenyl)piperazin-1-yl)-N-(naphthalen-2-ylmethyl)-N-propylbutan-1-amine
CID 53248347
N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine
CID 118724299
N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine
CID 118724307
10-[3-(1,3-Dihydroisoindol-2-yl)propyl]phenoxazine
CID 118724315
1-(3-Methylphenyl)-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 145968736

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine?
The IUPAC name of 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine (CID 174289794) is 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine is Cc1cc(C)cc(-c2ccc3c(c2)N(C)c2cc(-c4cc(C)c(C)c(C)c4)ccc2O3)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine?
The InChIKey is AHMHXUWQMOWDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-18-11-19(2)13-25(12-18)23-7-9-29-27(16-23)31(6)28-17-24(8-10-30(28)32-29)26-14-20(3)22(5)21(4)15-26/h7-17H,1-6H3.
What are the key properties of 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine?
2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine has a molecular weight of 419.57 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-10-methyl-8-(3,4,5-trimethylphenyl)phenoxazine is sourced from PubChem (CID 174289794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).