2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine

C39H22ClN3O2 — CID 138519716

IUPAC2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c2oc2cccc(-c4ccccc4-c4ccccc4)c23)n1
InChIInChI=1S/C39H22ClN3O2/c40-39-42-37(24-20-21-28-27-14-6-7-18-32(27)44-34(28)22-24)41-38(43-39)31-17-8-16-30-35-29(15-9-19-33(35)45-36(30)31)26-13-5-4-12-25(26)23-10-2-1-3-11-23/h1-22H
InChIKeyUGWANGKPNVAXJN-UHFFFAOYSA-N
MW600.08 g/mol
LogP10.99
Rot. Bonds4

About 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine

2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 138519716) has the molecular formula C39H22ClN3O2 and a molecular weight of 600.08 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID138519716
Molecular FormulaC39H22ClN3O2
Molecular Weight600.08 g/mol
Exact Mass599.14
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c2oc2cccc(-c4ccccc4-c4ccccc4)c23)n1
InChIInChI=1S/C39H22ClN3O2/c40-39-42-37(24-20-21-28-27-14-6-7-18-32(27)44-34(28)22-24)41-38(43-39)31-17-8-16-30-35-29(15-9-19-33(35)45-36(30)31)26-13-5-4-12-25(26)23-10-2-1-3-11-23/h1-22H
InChIKeyUGWANGKPNVAXJN-UHFFFAOYSA-N
XLogP10.99
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-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-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-chloro-4-phenyl-6-(9-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155096858
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine (CID 138519716) is 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine is Clc1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c2oc2cccc(-c4ccccc4-c4ccccc4)c23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is UGWANGKPNVAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22ClN3O2/c40-39-42-37(24-20-21-28-27-14-6-7-18-32(27)44-34(28)22-24)41-38(43-39)31-17-8-16-30-35-29(15-9-19-33(35)45-36(30)31)26-13-5-4-12-25(26)23-10-2-1-3-11-23/h1-22H.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 600.08 g/mol, XLogP of 10.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 138519716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).