10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine

C34H29NO — CID 58251164

IUPAC10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
SMILESCCc1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C34H29NO/c1-3-24-13-17-26(18-14-24)29-22-21-28(23-30(29)27-19-15-25(4-2)16-20-27)35-31-9-5-7-11-33(31)36-34-12-8-6-10-32(34)35/h5-23H,3-4H2,1-2H3
InChIKeyPVBCMVZPNCRITO-UHFFFAOYSA-N
MW467.61 g/mol
LogP9.72
Rot. Bonds5

About 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine

10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine (PubChem CID 58251164) has the molecular formula C34H29NO and a molecular weight of 467.61 g/mol. Its IUPAC name is 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
PubChem CID58251164
Molecular FormulaC34H29NO
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC Name10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
SMILESCCc1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C34H29NO/c1-3-24-13-17-26(18-14-24)29-22-21-28(23-30(29)27-19-15-25(4-2)16-20-27)35-31-9-5-7-11-33(31)36-34-12-8-6-10-32(34)35/h5-23H,3-4H2,1-2H3
InChIKeyPVBCMVZPNCRITO-UHFFFAOYSA-N
XLogP9.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
CID 58251251
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine
CID 58251166
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
CID 123712674
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
CID 130395524

Frequently Asked Questions

What is the IUPAC name of 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine (CID 58251164) is 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine is CCc1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2ccc(CC)cc2)cc1.
What is the InChIKey of 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine?
The InChIKey is PVBCMVZPNCRITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO/c1-3-24-13-17-26(18-14-24)29-22-21-28(23-30(29)27-19-15-25(4-2)16-20-27)35-31-9-5-7-11-33(31)36-34-12-8-6-10-32(34)35/h5-23H,3-4H2,1-2H3.
What are the key properties of 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine?
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine has a molecular weight of 467.61 g/mol, XLogP of 9.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 58251164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).