8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole

C36H22N4O — CID 138633683

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7ccccc67)oc5c4c3)n2)cc1
InChIInChI=1S/C36H22N4O/c1-3-11-25(12-4-1)33-38-34(26-13-5-2-6-14-26)40-35(39-33)27-19-18-24-20-21-31-32(30(24)22-27)41-36(37-31)29-17-9-15-23-10-7-8-16-28(23)29/h1-22H
InChIKeyCFFVEGDFROLTAV-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.99
Rot. Bonds4

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole (PubChem CID 138633683) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
PubChem CID138633683
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7ccccc67)oc5c4c3)n2)cc1
InChIInChI=1S/C36H22N4O/c1-3-11-25(12-4-1)33-38-34(26-13-5-2-6-14-26)40-35(39-33)27-19-18-24-20-21-31-32(30(24)22-27)41-36(37-31)29-17-9-15-23-10-7-8-16-28(23)29/h1-22H
InChIKeyCFFVEGDFROLTAV-UHFFFAOYSA-N
XLogP8.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085818
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole
CID 158655518
2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
CID 138633567
18-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-yl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086146
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085851
2-phenyl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 176764298
8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 138633638
9-[2-(4-naphthalen-1-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764233
2-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[g][1,3]benzoxazole
CID 175633901
2-naphthalen-2-yl-9-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole
CID 176764272
2-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 170027450

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole (CID 138633683) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7ccccc67)oc5c4c3)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole?
The InChIKey is CFFVEGDFROLTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-3-11-25(12-4-1)33-38-34(26-13-5-2-6-14-26)40-35(39-33)27-19-18-24-20-21-31-32(30(24)22-27)41-36(37-31)29-17-9-15-23-10-7-8-16-28(23)29/h1-22H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole has a molecular weight of 526.60 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 138633683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).