10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine

C38H25N5O2 — CID 121244907

IUPAC10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nn2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C38H25N5O2/c1-2-12-26(13-3-1)37-39-38(42-31-16-6-10-20-35(31)45-36-21-11-7-17-32(36)42)40-43(37)28-24-22-27(23-25-28)41-29-14-4-8-18-33(29)44-34-19-9-5-15-30(34)41/h1-25H
InChIKeyDHWNBAZKZVNHRU-UHFFFAOYSA-N
MW583.65 g/mol
LogP10.09
Rot. Bonds4

About 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine

10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine (PubChem CID 121244907) has the molecular formula C38H25N5O2 and a molecular weight of 583.65 g/mol. Its IUPAC name is 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine
PubChem CID121244907
Molecular FormulaC38H25N5O2
Molecular Weight583.65 g/mol
Exact Mass583.20
IUPAC Name10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nn2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C38H25N5O2/c1-2-12-26(13-3-1)37-39-38(42-31-16-6-10-20-35(31)45-36-21-11-7-17-32(36)42)40-43(37)28-24-22-27(23-25-28)41-29-14-4-8-18-33(29)44-34-19-9-5-15-30(34)41/h1-25H
InChIKeyDHWNBAZKZVNHRU-UHFFFAOYSA-N
XLogP10.09
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The IUPAC name of 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine (CID 121244907) is 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The canonical SMILES for 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine is c1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nn2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The InChIKey is DHWNBAZKZVNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5O2/c1-2-12-26(13-3-1)37-39-38(42-31-16-6-10-20-35(31)45-36-21-11-7-17-32(36)42)40-43(37)28-24-22-27(23-25-28)41-29-14-4-8-18-33(29)44-34-19-9-5-15-30(34)41/h1-25H.
What are the key properties of 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine has a molecular weight of 583.65 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine is sourced from PubChem (CID 121244907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).