2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine

C39H21N3O3 — CID 171057057

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)c32)c1[2H]
InChIInChI=1S/C39H21N3O3/c1-4-17-29-22(10-1)23-13-7-16-28(36(23)45-29)39-41-37(26-14-8-20-32-34(26)24-11-2-5-18-30(24)43-32)40-38(42-39)27-15-9-21-33-35(27)25-12-3-6-19-31(25)44-33/h1-21H/i2D,5D,8D,11D,14D,18D,20D
InChIKeyVKMFXONOVVJFMV-OTOLKOHVSA-N
MW586.66 g/mol
LogP10.57
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 171057057) has the molecular formula C39H21N3O3 and a molecular weight of 586.66 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID171057057
Molecular FormulaC39H21N3O3
Molecular Weight586.66 g/mol
Exact Mass586.20
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)c32)c1[2H]
InChIInChI=1S/C39H21N3O3/c1-4-17-29-22(10-1)23-13-7-16-28(36(23)45-29)39-41-37(26-14-8-20-32-34(26)24-11-2-5-18-30(24)43-32)40-38(42-39)27-15-9-21-33-35(27)25-12-3-6-19-31(25)44-33/h1-21H/i2D,5D,8D,11D,14D,18D,20D
InChIKeyVKMFXONOVVJFMV-OTOLKOHVSA-N
XLogP10.57
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.66
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457308
2-dibenzofuran-1-yl-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 169053841
2-dibenzofuran-4-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170941804
2-dibenzofuran-4-yl-4-[8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 168770269
2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457254
2-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-4-(2,3,4,6,7,8-hexadeuterio-5-phenylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731866
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844516
2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170941859
2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 171430765
2-dibenzofuran-4-yl-4-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 140946634
2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769914
2-dibenzofuran-1-yl-4-(2,4,6,7,8,9-hexadeuterio-3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112863

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine (CID 171057057) is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)c32)c1[2H].
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is VKMFXONOVVJFMV-OTOLKOHVSA-N. The full InChI is InChI=1S/C39H21N3O3/c1-4-17-29-22(10-1)23-13-7-16-28(36(23)45-29)39-41-37(26-14-8-20-32-34(26)24-11-2-5-18-30(24)43-32)40-38(42-39)27-15-9-21-33-35(27)25-12-3-6-19-31(25)44-33/h1-21H/i2D,5D,8D,11D,14D,18D,20D.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 586.66 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 171057057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).