10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine

C26H18N4O — CID 118281982

IUPAC10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
SMILESc1ccc(-n2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nn2)cc1
InChIInChI=1S/C26H18N4O/c1-2-8-20(9-3-1)29-18-22(27-28-29)19-14-16-21(17-15-19)30-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)30/h1-18H
InChIKeyNSBGQGBLYIQRMN-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.51
Rot. Bonds3

About 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine

10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine (PubChem CID 118281982) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
PubChem CID118281982
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
SMILESc1ccc(-n2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nn2)cc1
InChIInChI=1S/C26H18N4O/c1-2-8-20(9-3-1)29-18-22(27-28-29)19-14-16-21(17-15-19)30-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)30/h1-18H
InChIKeyNSBGQGBLYIQRMN-UHFFFAOYSA-N
XLogP6.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine (CID 118281982) is 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine is c1ccc(-n2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nn2)cc1.
What is the InChIKey of 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine?
The InChIKey is NSBGQGBLYIQRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-2-8-20(9-3-1)29-18-22(27-28-29)19-14-16-21(17-15-19)30-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)30/h1-18H.
What are the key properties of 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine?
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine has a molecular weight of 402.46 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine is sourced from PubChem (CID 118281982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).