10-(4-methylphenyl)-3,7-diphenylphenoxazine

C31H23NO — CID 58556205

IUPAC10-(4-methylphenyl)-3,7-diphenylphenoxazine
SMILESCc1ccc(N2c3ccc(-c4ccccc4)cc3Oc3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C31H23NO/c1-22-12-16-27(17-13-22)32-28-18-14-25(23-8-4-2-5-9-23)20-30(28)33-31-21-26(15-19-29(31)32)24-10-6-3-7-11-24/h2-21H,1H3
InChIKeyDPNFSLLZPXIIAP-UHFFFAOYSA-N
MW425.53 g/mol
LogP8.90
Rot. Bonds3

About 10-(4-methylphenyl)-3,7-diphenylphenoxazine

10-(4-methylphenyl)-3,7-diphenylphenoxazine (PubChem CID 58556205) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 10-(4-methylphenyl)-3,7-diphenylphenoxazine.

Molecular Properties

Compound Name10-(4-methylphenyl)-3,7-diphenylphenoxazine
PubChem CID58556205
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name10-(4-methylphenyl)-3,7-diphenylphenoxazine
SMILESCc1ccc(N2c3ccc(-c4ccccc4)cc3Oc3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C31H23NO/c1-22-12-16-27(17-13-22)32-28-18-14-25(23-8-4-2-5-9-23)20-30(28)33-31-21-26(15-19-29(31)32)24-10-6-3-7-11-24/h2-21H,1H3
InChIKeyDPNFSLLZPXIIAP-UHFFFAOYSA-N
XLogP8.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methylphenyl)-3,7-diphenylphenoxazine?
The IUPAC name of 10-(4-methylphenyl)-3,7-diphenylphenoxazine (CID 58556205) is 10-(4-methylphenyl)-3,7-diphenylphenoxazine.
What is the SMILES notation for 10-(4-methylphenyl)-3,7-diphenylphenoxazine?
The canonical SMILES for 10-(4-methylphenyl)-3,7-diphenylphenoxazine is Cc1ccc(N2c3ccc(-c4ccccc4)cc3Oc3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 10-(4-methylphenyl)-3,7-diphenylphenoxazine?
The InChIKey is DPNFSLLZPXIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-22-12-16-27(17-13-22)32-28-18-14-25(23-8-4-2-5-9-23)20-30(28)33-31-21-26(15-19-29(31)32)24-10-6-3-7-11-24/h2-21H,1H3.
What are the key properties of 10-(4-methylphenyl)-3,7-diphenylphenoxazine?
10-(4-methylphenyl)-3,7-diphenylphenoxazine has a molecular weight of 425.53 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylphenyl)-3,7-diphenylphenoxazine is sourced from PubChem (CID 58556205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).