2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine

C37H25NO2 — CID 167665630

IUPAC2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(Cc4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc32)cc1
InChIInChI=1S/C37H25NO2/c1-2-8-29(9-3-1)38-32-11-5-7-13-36(32)40-37-20-16-26(23-33(37)38)22-25-14-17-27(18-15-25)28-19-21-35-31(24-28)30-10-4-6-12-34(30)39-35/h1-21,23-24H,22H2
InChIKeyOIUZCVFGOUFSPT-UHFFFAOYSA-N
MW515.61 g/mol
LogP10.42
Rot. Bonds4

About 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine

2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine (PubChem CID 167665630) has the molecular formula C37H25NO2 and a molecular weight of 515.61 g/mol. Its IUPAC name is 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine.

Molecular Properties

Compound Name2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
PubChem CID167665630
Molecular FormulaC37H25NO2
Molecular Weight515.61 g/mol
Exact Mass515.19
IUPAC Name2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(Cc4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc32)cc1
InChIInChI=1S/C37H25NO2/c1-2-8-29(9-3-1)38-32-11-5-7-13-36(32)40-37-20-16-26(23-33(37)38)22-25-14-17-27(18-15-25)28-19-21-35-31(24-28)30-10-4-6-12-34(30)39-35/h1-21,23-24H,22H2
InChIKeyOIUZCVFGOUFSPT-UHFFFAOYSA-N
XLogP10.42
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine?
The IUPAC name of 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine (CID 167665630) is 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine.
What is the SMILES notation for 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine?
The canonical SMILES for 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine is c1ccc(N2c3ccccc3Oc3ccc(Cc4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc32)cc1.
What is the InChIKey of 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine?
The InChIKey is OIUZCVFGOUFSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO2/c1-2-8-29(9-3-1)38-32-11-5-7-13-36(32)40-37-20-16-26(23-33(37)38)22-25-14-17-27(18-15-25)28-19-21-35-31(24-28)30-10-4-6-12-34(30)39-35/h1-21,23-24H,22H2.
What are the key properties of 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine?
2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine has a molecular weight of 515.61 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine is sourced from PubChem (CID 167665630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).