2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

C37H22ClN3O — CID 159529301

IUPAC2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)c2c1oc1ccccc12
InChIInChI=1S/C37H22ClN3O/c38-31-22-21-30(33-29-14-6-7-16-32(29)42-34(31)33)37-40-35(25-10-2-1-3-11-25)39-36(41-37)26-19-17-24(18-20-26)28-15-8-12-23-9-4-5-13-27(23)28/h1-22H
InChIKeyMCUBYJVBPSBWGD-UHFFFAOYSA-N
MW560.06 g/mol
LogP10.25
Rot. Bonds4

About 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 159529301) has the molecular formula C37H22ClN3O and a molecular weight of 560.06 g/mol. Its IUPAC name is 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID159529301
Molecular FormulaC37H22ClN3O
Molecular Weight560.06 g/mol
Exact Mass559.15
IUPAC Name2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)c2c1oc1ccccc12
InChIInChI=1S/C37H22ClN3O/c38-31-22-21-30(33-29-14-6-7-16-32(29)42-34(31)33)37-40-35(25-10-2-1-3-11-25)39-36(41-37)26-19-17-24(18-20-26)28-15-8-12-23-9-4-5-13-27(23)28/h1-22H
InChIKeyMCUBYJVBPSBWGD-UHFFFAOYSA-N
XLogP10.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.06
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-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-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481357
2-naphthalen-1-yl-4-(4-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742716
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853832
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775561
2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164715095
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 159529301) is 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)c2c1oc1ccccc12.
What is the InChIKey of 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is MCUBYJVBPSBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3O/c38-31-22-21-30(33-29-14-6-7-16-32(29)42-34(31)33)37-40-35(25-10-2-1-3-11-25)39-36(41-37)26-19-17-24(18-20-26)28-15-8-12-23-9-4-5-13-27(23)28/h1-22H.
What are the key properties of 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 560.06 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 159529301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).