10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine

C30H19ClN2O2 — CID 118605217

IUPAC10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine
SMILESClc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C30H19ClN2O2/c31-20-17-21(32-23-9-1-5-13-27(23)34-28-14-6-2-10-24(28)32)19-22(18-20)33-25-11-3-7-15-29(25)35-30-16-8-4-12-26(30)33/h1-19H
InChIKeySTELMVLVPYYPQO-UHFFFAOYSA-N
MW474.95 g/mol
LogP9.49
Rot. Bonds2

About 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine

10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine (PubChem CID 118605217) has the molecular formula C30H19ClN2O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine
PubChem CID118605217
Molecular FormulaC30H19ClN2O2
Molecular Weight474.95 g/mol
Exact Mass474.11
IUPAC Name10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine
SMILESClc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C30H19ClN2O2/c31-20-17-21(32-23-9-1-5-13-27(23)34-28-14-6-2-10-24(28)32)19-22(18-20)33-25-11-3-7-15-29(25)35-30-16-8-4-12-26(30)33/h1-19H
InChIKeySTELMVLVPYYPQO-UHFFFAOYSA-N
XLogP9.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine?
The IUPAC name of 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine (CID 118605217) is 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine?
The canonical SMILES for 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine is Clc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine?
The InChIKey is STELMVLVPYYPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN2O2/c31-20-17-21(32-23-9-1-5-13-27(23)34-28-14-6-2-10-24(28)32)19-22(18-20)33-25-11-3-7-15-29(25)35-30-16-8-4-12-26(30)33/h1-19H.
What are the key properties of 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine?
10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine has a molecular weight of 474.95 g/mol, XLogP of 9.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chloro-5-phenoxazin-10-ylphenyl)phenoxazine is sourced from PubChem (CID 118605217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).