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

C31H22N2O2 — CID 145413452

IUPAC10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C31H22N2O2/c1-21-18-22(32-24-10-2-6-14-28(24)34-29-15-7-3-11-25(29)32)20-23(19-21)33-26-12-4-8-16-30(26)35-31-17-9-5-13-27(31)33/h2-20H,1H3
InChIKeyKWVFPWHGUOZFPZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP9.15
Rot. Bonds2

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

10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine (PubChem CID 145413452) has the molecular formula C31H22N2O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
PubChem CID145413452
Molecular FormulaC31H22N2O2
Molecular Weight454.53 g/mol
Exact Mass454.17
IUPAC Name10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C31H22N2O2/c1-21-18-22(32-24-10-2-6-14-28(24)34-29-15-7-3-11-25(29)32)20-23(19-21)33-26-12-4-8-16-30(26)35-31-17-9-5-13-27(31)33/h2-20H,1H3
InChIKeyKWVFPWHGUOZFPZ-UHFFFAOYSA-N
XLogP9.15
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine?
The IUPAC name of 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine (CID 145413452) is 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine?
The canonical SMILES for 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine is Cc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine?
The InChIKey is KWVFPWHGUOZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O2/c1-21-18-22(32-24-10-2-6-14-28(24)34-29-15-7-3-11-25(29)32)20-23(19-21)33-26-12-4-8-16-30(26)35-31-17-9-5-13-27(31)33/h2-20H,1H3.
What are the key properties of 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine?
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine has a molecular weight of 454.53 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine is sourced from PubChem (CID 145413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).