10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine

C34H22N4O2 — CID 59194535

IUPAC10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)cc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C34H22N4O2/c1-2-12-23(13-3-1)34-35-32(37-24-14-4-8-18-28(24)39-29-19-9-5-15-25(29)37)22-33(36-34)38-26-16-6-10-20-30(26)40-31-21-11-7-17-27(31)38/h1-22H
InChIKeyBJYFKZNXUXQSNP-UHFFFAOYSA-N
MW518.58 g/mol
LogP9.29
Rot. Bonds3

About 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine

10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine (PubChem CID 59194535) has the molecular formula C34H22N4O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine.

Molecular Properties

Compound Name10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine
PubChem CID59194535
Molecular FormulaC34H22N4O2
Molecular Weight518.58 g/mol
Exact Mass518.17
IUPAC Name10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)cc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C34H22N4O2/c1-2-12-23(13-3-1)34-35-32(37-24-14-4-8-18-28(24)39-29-19-9-5-15-25(29)37)22-33(36-34)38-26-16-6-10-20-30(26)40-31-21-11-7-17-27(31)38/h1-22H
InChIKeyBJYFKZNXUXQSNP-UHFFFAOYSA-N
XLogP9.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine?
The IUPAC name of 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine (CID 59194535) is 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine.
What is the SMILES notation for 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine?
The canonical SMILES for 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine is c1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)cc(N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine?
The InChIKey is BJYFKZNXUXQSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O2/c1-2-12-23(13-3-1)34-35-32(37-24-14-4-8-18-28(24)39-29-19-9-5-15-25(29)37)22-33(36-34)38-26-16-6-10-20-30(26)40-31-21-11-7-17-27(31)38/h1-22H.
What are the key properties of 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine?
10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine has a molecular weight of 518.58 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-phenoxazin-10-yl-2-phenylpyrimidin-4-yl)phenoxazine is sourced from PubChem (CID 59194535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).