10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine

C28H33NO — CID 70348621

IUPAC10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine
SMILESCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C(C)CCC)ccc32)cc1
InChIInChI=1S/C28H33NO/c1-5-7-9-22-11-14-24(15-12-22)29-25-16-10-20(3)18-27(25)30-28-19-23(13-17-26(28)29)21(4)8-6-2/h10-19,21H,5-9H2,1-4H3
InChIKeyLNPAAXABAXVERA-UHFFFAOYSA-N
MW399.58 g/mol
LogP8.82
Rot. Bonds7

About 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine

10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine (PubChem CID 70348621) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine.

Molecular Properties

Compound Name10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine
PubChem CID70348621
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC Name10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine
SMILESCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C(C)CCC)ccc32)cc1
InChIInChI=1S/C28H33NO/c1-5-7-9-22-11-14-24(15-12-22)29-25-16-10-20(3)18-27(25)30-28-19-23(13-17-26(28)29)21(4)8-6-2/h10-19,21H,5-9H2,1-4H3
InChIKeyLNPAAXABAXVERA-UHFFFAOYSA-N
XLogP8.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine?
The IUPAC name of 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine (CID 70348621) is 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine.
What is the SMILES notation for 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine?
The canonical SMILES for 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine is CCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C(C)CCC)ccc32)cc1.
What is the InChIKey of 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine?
The InChIKey is LNPAAXABAXVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c1-5-7-9-22-11-14-24(15-12-22)29-25-16-10-20(3)18-27(25)30-28-19-23(13-17-26(28)29)21(4)8-6-2/h10-19,21H,5-9H2,1-4H3.
What are the key properties of 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine?
10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine has a molecular weight of 399.58 g/mol, XLogP of 8.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine is sourced from PubChem (CID 70348621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).