10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine

C30H19ClN2O — CID 118605227

IUPAC10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
SMILESClc1cc(N2c3ccccc3Oc3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H19ClN2O/c31-20-17-21(32-25-11-3-1-9-23(25)24-10-2-4-12-26(24)32)19-22(18-20)33-27-13-5-7-15-29(27)34-30-16-8-6-14-28(30)33/h1-19H
InChIKeyYAGPFRCYHCRRNZ-UHFFFAOYSA-N
MW458.95 g/mol
LogP9.01
Rot. Bonds2

About 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine

10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine (PubChem CID 118605227) has the molecular formula C30H19ClN2O and a molecular weight of 458.95 g/mol. Its IUPAC name is 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine.

Molecular Properties

Compound Name10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
PubChem CID118605227
Molecular FormulaC30H19ClN2O
Molecular Weight458.95 g/mol
Exact Mass458.12
IUPAC Name10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
SMILESClc1cc(N2c3ccccc3Oc3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H19ClN2O/c31-20-17-21(32-25-11-3-1-9-23(25)24-10-2-4-12-26(24)32)19-22(18-20)33-27-13-5-7-15-29(27)34-30-16-8-6-14-28(30)33/h1-19H
InChIKeyYAGPFRCYHCRRNZ-UHFFFAOYSA-N
XLogP9.01
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine?
The IUPAC name of 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine (CID 118605227) is 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine.
What is the SMILES notation for 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine?
The canonical SMILES for 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine is Clc1cc(N2c3ccccc3Oc3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine?
The InChIKey is YAGPFRCYHCRRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN2O/c31-20-17-21(32-25-11-3-1-9-23(25)24-10-2-4-12-26(24)32)19-22(18-20)33-27-13-5-7-15-29(27)34-30-16-8-6-14-28(30)33/h1-19H.
What are the key properties of 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine?
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine has a molecular weight of 458.95 g/mol, XLogP of 9.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine is sourced from PubChem (CID 118605227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).