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

C50H28N4O2S — CID 167124017

IUPAC2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3cc4nc(-c5cccc6sc7ccccc7c56)oc4c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C50H28N4O2S/c1-2-14-30(15-3-1)47-52-48(32-26-25-29-13-4-5-16-31(29)27-32)54-49(53-47)34-18-7-6-17-33(34)38-28-39-46(44-35-19-8-10-22-40(35)55-45(38)44)56-50(51-39)37-21-12-24-42-43(37)36-20-9-11-23-41(36)57-42/h1-28H
InChIKeyGJXLNLUFQHKCBO-UHFFFAOYSA-N
MW748.87 g/mol
LogP13.77
Rot. Bonds5

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

2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167124017) has the molecular formula C50H28N4O2S and a molecular weight of 748.87 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167124017
Molecular FormulaC50H28N4O2S
Molecular Weight748.87 g/mol
Exact Mass748.19
IUPAC Name2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3cc4nc(-c5cccc6sc7ccccc7c56)oc4c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C50H28N4O2S/c1-2-14-30(15-3-1)47-52-48(32-26-25-29-13-4-5-16-31(29)27-32)54-49(53-47)34-18-7-6-17-33(34)38-28-39-46(44-35-19-8-10-22-40(35)55-45(38)44)56-50(51-39)37-21-12-24-42-43(37)36-20-9-11-23-41(36)57-42/h1-28H
InChIKeyGJXLNLUFQHKCBO-UHFFFAOYSA-N
XLogP13.77
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.87
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole with MolForge

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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
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine
CID 174198570
4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168784933
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
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
9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
CID 176764410
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine
CID 171737207
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167124017) is 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3cc4nc(-c5cccc6sc7ccccc7c56)oc4c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is GJXLNLUFQHKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2S/c1-2-14-30(15-3-1)47-52-48(32-26-25-29-13-4-5-16-31(29)27-32)54-49(53-47)34-18-7-6-17-33(34)38-28-39-46(44-35-19-8-10-22-40(35)55-45(38)44)56-50(51-39)37-21-12-24-42-43(37)36-20-9-11-23-41(36)57-42/h1-28H.
What are the key properties of 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 748.87 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167124017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).