benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate

C29H19N3O3 — CID 146630792

IUPACbenzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C29H19N3O3/c33-29(34-18-19-9-3-1-4-10-19)28-31-26(20-11-5-2-6-12-20)30-27(32-28)21-15-16-23-22-13-7-8-14-24(22)35-25(23)17-21/h1-17H,18H2
InChIKeyWAKNAUUMHPPHTR-UHFFFAOYSA-N
MW457.49 g/mol
LogP6.46
Rot. Bonds5

About benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate

benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate (PubChem CID 146630792) has the molecular formula C29H19N3O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate
PubChem CID146630792
Molecular FormulaC29H19N3O3
Molecular Weight457.49 g/mol
Exact Mass457.14
IUPAC Namebenzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C29H19N3O3/c33-29(34-18-19-9-3-1-4-10-19)28-31-26(20-11-5-2-6-12-20)30-27(32-28)21-15-16-23-22-13-7-8-14-24(22)35-25(23)17-21/h1-17H,18H2
InChIKeyWAKNAUUMHPPHTR-UHFFFAOYSA-N
XLogP6.46
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate?
The IUPAC name of benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate (CID 146630792) is benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate is O=C(OCc1ccccc1)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate?
The InChIKey is WAKNAUUMHPPHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O3/c33-29(34-18-19-9-3-1-4-10-19)28-31-26(20-11-5-2-6-12-20)30-27(32-28)21-15-16-23-22-13-7-8-14-24(22)35-25(23)17-21/h1-17H,18H2.
What are the key properties of benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate?
benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate has a molecular weight of 457.49 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 146630792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).