9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole

C50H30N4O2 — CID 176764282

IUPAC9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4cccc(-c5nc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)nc(-c6ccccc6-c6ccccc6)n5)c4c3o2)cc1
InChIInChI=1S/C50H30N4O2/c1-3-14-31(15-4-1)36-21-7-8-22-38(36)48-52-47(35-20-11-19-34(30-35)37-24-13-27-43-45(37)39-23-9-10-26-42(39)55-43)53-49(54-48)40-25-12-18-32-28-29-41-46(44(32)40)56-50(51-41)33-16-5-2-6-17-33/h1-30H
InChIKeyMUQKMOFPTHRPML-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

About 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole

9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764282) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID176764282
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4cccc(-c5nc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)nc(-c6ccccc6-c6ccccc6)n5)c4c3o2)cc1
InChIInChI=1S/C50H30N4O2/c1-3-14-31(15-4-1)36-21-7-8-22-38(36)48-52-47(35-20-11-19-34(30-35)37-24-13-27-43-45(37)39-23-9-10-26-42(39)55-43)53-49(54-48)40-25-12-18-32-28-29-41-46(44(32)40)56-50(51-41)33-16-5-2-6-17-33/h1-30H
InChIKeyMUQKMOFPTHRPML-UHFFFAOYSA-N
XLogP13.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-9-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzoxazole
CID 176764269
9-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764267
9-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260
17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631536
9-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764505
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
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
17-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631534
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
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764513
2-phenyl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 176764298

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole (CID 176764282) is 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc3ccc4cccc(-c5nc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)nc(-c6ccccc6-c6ccccc6)n5)c4c3o2)cc1.
What is the InChIKey of 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is MUQKMOFPTHRPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-3-14-31(15-4-1)36-21-7-8-22-38(36)48-52-47(35-20-11-19-34(30-35)37-24-13-27-43-45(37)39-23-9-10-26-42(39)55-43)53-49(54-48)40-25-12-18-32-28-29-41-46(44(32)40)56-50(51-41)33-16-5-2-6-17-33/h1-30H.
What are the key properties of 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 718.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).