5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole

C44H26N4O2 — CID 167125281

IUPAC5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6oc(-c7ccccc7)nc6c6c5oc5ccccc56)ccc4c3)n2)cc1
InChIInChI=1S/C44H26N4O2/c1-4-12-27(13-5-1)41-46-42(28-14-6-2-7-15-28)48-43(47-41)33-23-21-30-24-32(22-20-31(30)25-33)35-26-37-39(45-44(50-37)29-16-8-3-9-17-29)38-34-18-10-11-19-36(34)49-40(35)38/h1-26H
InChIKeyXXXBOBYWBSADPH-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.40
Rot. Bonds5

About 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167125281) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167125281
Molecular FormulaC44H26N4O2
Molecular Weight642.72 g/mol
Exact Mass642.21
IUPAC Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6oc(-c7ccccc7)nc6c6c5oc5ccccc56)ccc4c3)n2)cc1
InChIInChI=1S/C44H26N4O2/c1-4-12-27(13-5-1)41-46-42(28-14-6-2-7-15-28)48-43(47-41)33-23-21-30-24-32(22-20-31(30)25-33)35-26-37-39(45-44(50-37)29-16-8-3-9-17-29)38-34-18-10-11-19-36(34)49-40(35)38/h1-26H
InChIKeyXXXBOBYWBSADPH-UHFFFAOYSA-N
XLogP11.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole 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-phenyl-5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167124484
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 170776778
2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167123648
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzoxazole
CID 176764343
13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
CID 177085986
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164747860
16-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086323
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167125281) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6oc(-c7ccccc7)nc6c6c5oc5ccccc56)ccc4c3)n2)cc1.
What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is XXXBOBYWBSADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-4-12-27(13-5-1)41-46-42(28-14-6-2-7-15-28)48-43(47-41)33-23-21-30-24-32(22-20-31(30)25-33)35-26-37-39(45-44(50-37)29-16-8-3-9-17-29)38-34-18-10-11-19-36(34)49-40(35)38/h1-26H.
What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole?
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 642.72 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167125281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).