7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole

C40H22N4O3 — CID 174288773

IUPAC7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccc5nc(-c6ccccc6)oc5c34)n2)cc1
InChIInChI=1S/C40H22N4O3/c1-3-11-23(12-4-1)37-42-38(28-18-9-16-26-25-15-7-8-20-31(25)45-34(26)28)44-39(43-37)29-19-10-17-27-33-32(46-35(27)29)22-21-30-36(33)47-40(41-30)24-13-5-2-6-14-24/h1-22H
InChIKeyOGFARYPLDSHFFD-UHFFFAOYSA-N
MW606.64 g/mol
LogP10.48
Rot. Bonds4

About 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole

7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 174288773) has the molecular formula C40H22N4O3 and a molecular weight of 606.64 g/mol. Its IUPAC name is 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID174288773
Molecular FormulaC40H22N4O3
Molecular Weight606.64 g/mol
Exact Mass606.17
IUPAC Name7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccc5nc(-c6ccccc6)oc5c34)n2)cc1
InChIInChI=1S/C40H22N4O3/c1-3-11-23(12-4-1)37-42-38(28-18-9-16-26-25-15-7-8-20-31(25)45-34(26)28)44-39(43-37)29-19-10-17-27-33-32(46-35(27)29)22-21-30-36(33)47-40(41-30)24-13-5-2-6-14-24/h1-22H
InChIKeyOGFARYPLDSHFFD-UHFFFAOYSA-N
XLogP10.48
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.64
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647036
5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 177085976
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
9-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764267
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
6-[6-[4-dibenzofuran-4-yl-6-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole;5-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;6-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 159598829
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 174288773) is 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccc5nc(-c6ccccc6)oc5c34)n2)cc1.
What is the InChIKey of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is OGFARYPLDSHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O3/c1-3-11-23(12-4-1)37-42-38(28-18-9-16-26-25-15-7-8-20-31(25)45-34(26)28)44-39(43-37)29-19-10-17-27-33-32(46-35(27)29)22-21-30-36(33)47-40(41-30)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole?
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 606.64 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 174288773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).