9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole

C38H22N4OS — CID 176764410

IUPAC9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4ccc5nc(-c6ccccc6)oc5c34)n2)cc1
InChIInChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(42-37(41-35)28-18-10-20-31-33(28)26-16-7-8-19-30(26)44-31)27-17-9-15-23-21-22-29-34(32(23)27)43-38(39-29)25-13-5-2-6-14-25/h1-22H
InChIKeyLHOSBFLLTJQJSZ-UHFFFAOYSA-N
MW582.69 g/mol
LogP10.20
Rot. Bonds4

About 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole

9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764410) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID176764410
Molecular FormulaC38H22N4OS
Molecular Weight582.69 g/mol
Exact Mass582.15
IUPAC Name9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4ccc5nc(-c6ccccc6)oc5c34)n2)cc1
InChIInChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(42-37(41-35)28-18-10-20-31-33(28)26-16-7-8-19-30(26)44-31)27-17-9-15-23-21-22-29-34(32(23)27)43-38(39-29)25-13-5-2-6-14-25/h1-22H
InChIKeyLHOSBFLLTJQJSZ-UHFFFAOYSA-N
XLogP10.20
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.69
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][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

9-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
CID 176764314
2-phenyl-9-[2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzoxazole
CID 176764427
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764513
9-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764505
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-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 177085870
2-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[g][1,3]benzoxazole
CID 176764392
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-14-thia-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1,3(7),5,8,10,12,15,17,19-nonaene
CID 176647000
9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-2-(3-phenylphenyl)benzo[g][1,3]benzoxazole
CID 176764469
9-[4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764455
9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411327
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171412023
2-phenyl-8-[4-phenyl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411340

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole (CID 176764410) is 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4ccc5nc(-c6ccccc6)oc5c34)n2)cc1.
What is the InChIKey of 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is LHOSBFLLTJQJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(42-37(41-35)28-18-10-20-31-33(28)26-16-7-8-19-30(26)44-31)27-17-9-15-23-21-22-29-34(32(23)27)43-38(39-29)25-13-5-2-6-14-25/h1-22H.
What are the key properties of 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole?
9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 582.69 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).