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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Related Compounds

10-[3,5-bis[3,5-bis(4-pentylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine
CID 122546405
10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
CID 123712674
10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine
CID 70348621
ethane;1-methyl-3-pentylbenzene
CID 143267779
1,3-di(tetradecyl)benzene
CID 91053224
10-[3-(3,5-dihexylphenyl)-5-(3-hexyl-5-methylphenyl)phenyl]-3,7-dimethylphenothiazine
CID 134368350
10-[3,5-bis(3-butyl-5-methylphenyl)phenyl]phenoxazine
CID 58251245
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
CID 159248075
8-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
CID 135159317
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine
CID 59545237

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).