2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine

C34H23N5O2 — CID 155028602

IUPAC2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
SMILESc1ccc(C2=NC(c3nc4cc5c(cc4o3)Oc3ccccc3N5c3ccccc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C34H23N5O2/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-33(37-31)34-35-25-20-27-30(21-29(25)41-34)40-28-19-11-10-18-26(28)39(27)24-16-8-3-9-17-24/h1-21,33H,(H,36,37,38)
InChIKeyVRWMTVZGQOWOTG-UHFFFAOYSA-N
MW533.59 g/mol
LogP7.90
Rot. Bonds4

About 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine

2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine (PubChem CID 155028602) has the molecular formula C34H23N5O2 and a molecular weight of 533.59 g/mol. Its IUPAC name is 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine.

Molecular Properties

Compound Name2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
PubChem CID155028602
Molecular FormulaC34H23N5O2
Molecular Weight533.59 g/mol
Exact Mass533.19
IUPAC Name2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
SMILESc1ccc(C2=NC(c3nc4cc5c(cc4o3)Oc3ccccc3N5c3ccccc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C34H23N5O2/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-33(37-31)34-35-25-20-27-30(21-29(25)41-34)40-28-19-11-10-18-26(28)39(27)24-16-8-3-9-17-24/h1-21,33H,(H,36,37,38)
InChIKeyVRWMTVZGQOWOTG-UHFFFAOYSA-N
XLogP7.90
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.59
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 155028598
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
ethane;10-phenylphenoxazine
CID 123756019
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
N,10-diphenylphenoxazin-2-amine
CID 155429744
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
The IUPAC name of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine (CID 155028602) is 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine.
What is the SMILES notation for 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
The canonical SMILES for 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine is c1ccc(C2=NC(c3nc4cc5c(cc4o3)Oc3ccccc3N5c3ccccc3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
The InChIKey is VRWMTVZGQOWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5O2/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-33(37-31)34-35-25-20-27-30(21-29(25)41-34)40-28-19-11-10-18-26(28)39(27)24-16-8-3-9-17-24/h1-21,33H,(H,36,37,38).
What are the key properties of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine has a molecular weight of 533.59 g/mol, XLogP of 7.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine is sourced from PubChem (CID 155028602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).