2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine

C39H23N3O2 — CID 174259532

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C39H23N3O2/c1-3-11-24(12-4-1)31-21-27(23-35-36(31)30-16-8-10-18-33(30)44-35)39-41-37(25-13-5-2-6-14-25)40-38(42-39)26-19-20-29-28-15-7-9-17-32(28)43-34(29)22-26/h1-23H
InChIKeyDTGCJDHRGAZJIA-UHFFFAOYSA-N
MW565.63 g/mol
LogP10.34
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 174259532) has the molecular formula C39H23N3O2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID174259532
Molecular FormulaC39H23N3O2
Molecular Weight565.63 g/mol
Exact Mass565.18
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C39H23N3O2/c1-3-11-24(12-4-1)31-21-27(23-35-36(31)30-16-8-10-18-33(30)44-35)39-41-37(25-13-5-2-6-14-25)40-38(42-39)26-19-20-29-28-15-7-9-17-32(28)43-34(29)22-26/h1-23H
InChIKeyDTGCJDHRGAZJIA-UHFFFAOYSA-N
XLogP10.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 176773417
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 174259532) is 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is DTGCJDHRGAZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O2/c1-3-11-24(12-4-1)31-21-27(23-35-36(31)30-16-8-10-18-33(30)44-35)39-41-37(25-13-5-2-6-14-25)40-38(42-39)26-19-20-29-28-15-7-9-17-32(28)43-34(29)22-26/h1-23H.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 565.63 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 174259532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).