3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine

C24H23NO — CID 59572971

IUPAC3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccc2c1CCCC2
InChIInChI=1S/C24H23NO/c1-16-10-12-21-23(14-16)26-24-15-17(2)11-13-22(24)25(21)20-9-5-7-18-6-3-4-8-19(18)20/h5,7,9-15H,3-4,6,8H2,1-2H3
InChIKeyRQQFLHKNGKTEOI-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.76
Rot. Bonds1

About 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine

3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine (PubChem CID 59572971) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine.

Molecular Properties

Compound Name3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine
PubChem CID59572971
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccc2c1CCCC2
InChIInChI=1S/C24H23NO/c1-16-10-12-21-23(14-16)26-24-15-17(2)11-13-22(24)25(21)20-9-5-7-18-6-3-4-8-19(18)20/h5,7,9-15H,3-4,6,8H2,1-2H3
InChIKeyRQQFLHKNGKTEOI-UHFFFAOYSA-N
XLogP6.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine?
The IUPAC name of 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine (CID 59572971) is 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine.
What is the SMILES notation for 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine?
The canonical SMILES for 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine is Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccc2c1CCCC2.
What is the InChIKey of 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine?
The InChIKey is RQQFLHKNGKTEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-16-10-12-21-23(14-16)26-24-15-17(2)11-13-22(24)25(21)20-9-5-7-18-6-3-4-8-19(18)20/h5,7,9-15H,3-4,6,8H2,1-2H3.
What are the key properties of 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine?
3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine has a molecular weight of 341.45 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)phenoxazine is sourced from PubChem (CID 59572971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).