12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine

C25H21NO — CID 59573636

IUPAC12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3cc4ccccc4cc32)c(C)c1
InChIInChI=1S/C25H21NO/c1-16-12-17(2)25(18(3)13-16)26-21-10-6-7-11-23(21)27-24-15-20-9-5-4-8-19(20)14-22(24)26/h4-15H,1-3H3
InChIKeyHLKXYFXTMOICPD-UHFFFAOYSA-N
MW351.45 g/mol
LogP7.34
Rot. Bonds1

About 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine

12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine (PubChem CID 59573636) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine.

Molecular Properties

Compound Name12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
PubChem CID59573636
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3cc4ccccc4cc32)c(C)c1
InChIInChI=1S/C25H21NO/c1-16-12-17(2)25(18(3)13-16)26-21-10-6-7-11-23(21)27-24-15-20-9-5-4-8-19(20)14-22(24)26/h4-15H,1-3H3
InChIKeyHLKXYFXTMOICPD-UHFFFAOYSA-N
XLogP7.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine?
The IUPAC name of 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine (CID 59573636) is 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine.
What is the SMILES notation for 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine?
The canonical SMILES for 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine is Cc1cc(C)c(N2c3ccccc3Oc3cc4ccccc4cc32)c(C)c1.
What is the InChIKey of 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine?
The InChIKey is HLKXYFXTMOICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-16-12-17(2)25(18(3)13-16)26-21-10-6-7-11-23(21)27-24-15-20-9-5-4-8-19(20)14-22(24)26/h4-15H,1-3H3.
What are the key properties of 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine?
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine has a molecular weight of 351.45 g/mol, XLogP of 7.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine is sourced from PubChem (CID 59573636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).