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

C44H29N5O2 — CID 102430160

IUPAC10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C44H29N5O2/c1-2-12-32(13-3-1)49-43(30-22-26-33(27-23-30)47-35-14-4-8-18-39(35)50-40-19-9-5-15-36(40)47)45-46-44(49)31-24-28-34(29-25-31)48-37-16-6-10-20-41(37)51-42-21-11-7-17-38(42)48/h1-29H
InChIKeySOIASBPYYYHBSJ-UHFFFAOYSA-N
MW659.75 g/mol
LogP11.75
Rot. Bonds5

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

10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine (PubChem CID 102430160) has the molecular formula C44H29N5O2 and a molecular weight of 659.75 g/mol. Its IUPAC name is 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine
PubChem CID102430160
Molecular FormulaC44H29N5O2
Molecular Weight659.75 g/mol
Exact Mass659.23
IUPAC Name10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C44H29N5O2/c1-2-12-32(13-3-1)49-43(30-22-26-33(27-23-30)47-35-14-4-8-18-39(35)50-40-19-9-5-15-36(40)47)45-46-44(49)31-24-28-34(29-25-31)48-37-16-6-10-20-41(37)51-42-21-11-7-17-38(42)48/h1-29H
InChIKeySOIASBPYYYHBSJ-UHFFFAOYSA-N
XLogP11.75
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.75
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4H-1,2,4-Triazole, 3-[1,1'-biphenyl]-4-yl-4-(2-methoxyphenyl)-5-methyl-
CID 5034737
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
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
4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-ethyl}-morpholine
CID 44215484
1-{3-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-propyl}-4-methyl-piperazine
CID 44321415
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine, 1-(4-methoxyphenyl)-
CID 22333258

Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine (CID 102430160) is 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine?
The InChIKey is SOIASBPYYYHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5O2/c1-2-12-32(13-3-1)49-43(30-22-26-33(27-23-30)47-35-14-4-8-18-39(35)50-40-19-9-5-15-36(40)47)45-46-44(49)31-24-28-34(29-25-31)48-37-16-6-10-20-41(37)51-42-21-11-7-17-38(42)48/h1-29H.
What are the key properties of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine?
10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine has a molecular weight of 659.75 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-(4-phenoxazin-10-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 102430160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).