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

C32H22N4O — CID 102430159

IUPAC10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C32H22N4O/c1-3-11-23(12-4-1)31-33-34-32(36(31)25-13-5-2-6-14-25)24-19-21-26(22-20-24)35-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)35/h1-22H
InChIKeyASHFOTPVKVKBHQ-UHFFFAOYSA-N
MW478.56 g/mol
LogP8.18
Rot. Bonds4

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

10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine (PubChem CID 102430159) has the molecular formula C32H22N4O and a molecular weight of 478.56 g/mol. Its IUPAC name is 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
PubChem CID102430159
Molecular FormulaC32H22N4O
Molecular Weight478.56 g/mol
Exact Mass478.18
IUPAC Name10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C32H22N4O/c1-3-11-23(12-4-1)31-33-34-32(36(31)25-13-5-2-6-14-25)24-19-21-26(22-20-24)35-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)35/h1-22H
InChIKeyASHFOTPVKVKBHQ-UHFFFAOYSA-N
XLogP8.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4H-1,2,4-Triazole, 3-[1,1'-biphenyl]-4-yl-4-(2-methoxyphenyl)-5-methyl-
CID 5034737
3-(4-Ethoxy-phenyl)-4,5-diphenyl-4H-[1,2,4]triazole
CID 798145
4-(4-ethoxyphenyl)-3,5-diphenyl-4H-1,2,4-triazole
CID 798454
1-{7-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-heptyl}-4-methyl-piperazine
CID 10142915
1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-4-methyl-piperazine
CID 10164478
1-{8-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-octyl}-4-methyl-piperazine
CID 10165683
1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-piperidine
CID 10206901
1-{5-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-pentyl}-4-methyl-piperazine
CID 10278394
1-[6-[2-[3-Methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]hexyl]-4-piperidin-1-ylpiperidine
CID 10303620
4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-ethyl}-piperidine
CID 10873853
1-{10-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-decyl}-4-methyl-piperazine
CID 10929819
1-{4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-butyl}-4-methyl-piperazine
CID 11092056

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine (CID 102430159) is 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine is c1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine?
The InChIKey is ASHFOTPVKVKBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O/c1-3-11-23(12-4-1)31-33-34-32(36(31)25-13-5-2-6-14-25)24-19-21-26(22-20-24)35-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)35/h1-22H.
What are the key properties of 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine?
10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine has a molecular weight of 478.56 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine is sourced from PubChem (CID 102430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).