3-carbazol-9-yl-10-methylphenoxazine

C25H18N2O — CID 130351981

IUPAC3-carbazol-9-yl-10-methylphenoxazine
SMILESCN1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C25H18N2O/c1-26-22-12-6-7-13-24(22)28-25-16-17(14-15-23(25)26)27-20-10-4-2-8-18(20)19-9-3-5-11-21(19)27/h2-16H,1H3
InChIKeyVWRMSTBRSSECRD-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.66
Rot. Bonds1

About 3-carbazol-9-yl-10-methylphenoxazine

3-carbazol-9-yl-10-methylphenoxazine (PubChem CID 130351981) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-carbazol-9-yl-10-methylphenoxazine.

Molecular Properties

Compound Name3-carbazol-9-yl-10-methylphenoxazine
PubChem CID130351981
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name3-carbazol-9-yl-10-methylphenoxazine
SMILESCN1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C25H18N2O/c1-26-22-12-6-7-13-24(22)28-25-16-17(14-15-23(25)26)27-20-10-4-2-8-18(20)19-9-3-5-11-21(19)27/h2-16H,1H3
InChIKeyVWRMSTBRSSECRD-UHFFFAOYSA-N
XLogP6.66
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10-methylphenoxazine?
The IUPAC name of 3-carbazol-9-yl-10-methylphenoxazine (CID 130351981) is 3-carbazol-9-yl-10-methylphenoxazine.
What is the SMILES notation for 3-carbazol-9-yl-10-methylphenoxazine?
The canonical SMILES for 3-carbazol-9-yl-10-methylphenoxazine is CN1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-10-methylphenoxazine?
The InChIKey is VWRMSTBRSSECRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-26-22-12-6-7-13-24(22)28-25-16-17(14-15-23(25)26)27-20-10-4-2-8-18(20)19-9-3-5-11-21(19)27/h2-16H,1H3.
What are the key properties of 3-carbazol-9-yl-10-methylphenoxazine?
3-carbazol-9-yl-10-methylphenoxazine has a molecular weight of 362.43 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10-methylphenoxazine is sourced from PubChem (CID 130351981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).