2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

C33H20ClN3O2 — CID 146541885

IUPAC2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5OC5C=CC=CC65)n4)ccc3c2c1
InChIInChI=1S/C33H20ClN3O2/c34-21-14-16-28-26(18-21)23-15-13-20(17-29(23)38-28)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-11-6-10-24-22-9-4-5-12-27(22)39-30(24)25/h1-18,22,27H
InChIKeyJUOJXMIOVGKEAY-UHFFFAOYSA-N
MW526.00 g/mol
LogP8.40
Rot. Bonds3

About 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 146541885) has the molecular formula C33H20ClN3O2 and a molecular weight of 526.00 g/mol. Its IUPAC name is 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID146541885
Molecular FormulaC33H20ClN3O2
Molecular Weight526.00 g/mol
Exact Mass525.12
IUPAC Name2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5OC5C=CC=CC65)n4)ccc3c2c1
InChIInChI=1S/C33H20ClN3O2/c34-21-14-16-28-26(18-21)23-15-13-20(17-29(23)38-28)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-11-6-10-24-22-9-4-5-12-27(22)39-30(24)25/h1-18,22,27H
InChIKeyJUOJXMIOVGKEAY-UHFFFAOYSA-N
XLogP8.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.00
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-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-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 170399724
2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-(8-chlorodibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146651147
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
2-(2-chlorophenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 166741775
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951

Frequently Asked Questions

What is the IUPAC name of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 146541885) is 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is Clc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5OC5C=CC=CC65)n4)ccc3c2c1.
What is the InChIKey of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is JUOJXMIOVGKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3O2/c34-21-14-16-28-26(18-21)23-15-13-20(17-29(23)38-28)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-11-6-10-24-22-9-4-5-12-27(22)39-30(24)25/h1-18,22,27H.
What are the key properties of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 526.00 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146541885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).