10-(3-hexylphenyl)-3,7-dimethylphenoxazine

C26H29NO — CID 140565835

IUPAC10-(3-hexylphenyl)-3,7-dimethylphenoxazine
SMILESCCCCCCc1cccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)c1
InChIInChI=1S/C26H29NO/c1-4-5-6-7-9-21-10-8-11-22(18-21)27-23-14-12-19(2)16-25(23)28-26-17-20(3)13-15-24(26)27/h8,10-18H,4-7,9H2,1-3H3
InChIKeyMCRWBYALARTORT-UHFFFAOYSA-N
MW371.52 g/mol
LogP8.00
Rot. Bonds6

About 10-(3-hexylphenyl)-3,7-dimethylphenoxazine

10-(3-hexylphenyl)-3,7-dimethylphenoxazine (PubChem CID 140565835) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 10-(3-hexylphenyl)-3,7-dimethylphenoxazine.

Molecular Properties

Compound Name10-(3-hexylphenyl)-3,7-dimethylphenoxazine
PubChem CID140565835
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name10-(3-hexylphenyl)-3,7-dimethylphenoxazine
SMILESCCCCCCc1cccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)c1
InChIInChI=1S/C26H29NO/c1-4-5-6-7-9-21-10-8-11-22(18-21)27-23-14-12-19(2)16-25(23)28-26-17-20(3)13-15-24(26)27/h8,10-18H,4-7,9H2,1-3H3
InChIKeyMCRWBYALARTORT-UHFFFAOYSA-N
XLogP8.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3-hexylphenyl)-3,7-dimethylphenoxazine?
The IUPAC name of 10-(3-hexylphenyl)-3,7-dimethylphenoxazine (CID 140565835) is 10-(3-hexylphenyl)-3,7-dimethylphenoxazine.
What is the SMILES notation for 10-(3-hexylphenyl)-3,7-dimethylphenoxazine?
The canonical SMILES for 10-(3-hexylphenyl)-3,7-dimethylphenoxazine is CCCCCCc1cccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)c1.
What is the InChIKey of 10-(3-hexylphenyl)-3,7-dimethylphenoxazine?
The InChIKey is MCRWBYALARTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-4-5-6-7-9-21-10-8-11-22(18-21)27-23-14-12-19(2)16-25(23)28-26-17-20(3)13-15-24(26)27/h8,10-18H,4-7,9H2,1-3H3.
What are the key properties of 10-(3-hexylphenyl)-3,7-dimethylphenoxazine?
10-(3-hexylphenyl)-3,7-dimethylphenoxazine has a molecular weight of 371.52 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hexylphenyl)-3,7-dimethylphenoxazine is sourced from PubChem (CID 140565835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).