3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine

C36H24FNO — CID 71004007

IUPAC3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine
SMILESFc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H24FNO/c37-31-17-11-28(12-18-31)30-16-22-34-36(24-30)39-35-23-29(26-9-5-2-6-10-26)15-21-33(35)38(34)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H
InChIKeyCUNZGMOAMYLGBW-UHFFFAOYSA-N
MW505.59 g/mol
LogP10.40
Rot. Bonds4

About 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine

3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine (PubChem CID 71004007) has the molecular formula C36H24FNO and a molecular weight of 505.59 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine
PubChem CID71004007
Molecular FormulaC36H24FNO
Molecular Weight505.59 g/mol
Exact Mass505.18
IUPAC Name3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine
SMILESFc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H24FNO/c37-31-17-11-28(12-18-31)30-16-22-34-36(24-30)39-35-23-29(26-9-5-2-6-10-26)15-21-33(35)38(34)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H
InChIKeyCUNZGMOAMYLGBW-UHFFFAOYSA-N
XLogP10.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine?
The IUPAC name of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine (CID 71004007) is 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine?
The canonical SMILES for 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine is Fc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine?
The InChIKey is CUNZGMOAMYLGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24FNO/c37-31-17-11-28(12-18-31)30-16-22-34-36(24-30)39-35-23-29(26-9-5-2-6-10-26)15-21-33(35)38(34)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H.
What are the key properties of 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine?
3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine has a molecular weight of 505.59 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenoxazine is sourced from PubChem (CID 71004007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).