2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine

C27H15Cl2N3O — CID 137496487

IUPAC2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cc(Cl)c2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1
InChIInChI=1S/C27H15Cl2N3O/c28-19-14-21-20-13-18(11-12-23(20)33-24(21)22(29)15-19)27-31-25(16-7-3-1-4-8-16)30-26(32-27)17-9-5-2-6-10-17/h1-15H
InChIKeyPIFCANGYGNMYLA-UHFFFAOYSA-N
MW468.34 g/mol
LogP8.08
Rot. Bonds3

About 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 137496487) has the molecular formula C27H15Cl2N3O and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID137496487
Molecular FormulaC27H15Cl2N3O
Molecular Weight468.34 g/mol
Exact Mass467.06
IUPAC Name2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cc(Cl)c2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1
InChIInChI=1S/C27H15Cl2N3O/c28-19-14-21-20-13-18(11-12-23(20)33-24(21)22(29)15-19)27-31-25(16-7-3-1-4-8-16)30-26(32-27)17-9-5-2-6-10-17/h1-15H
InChIKeyPIFCANGYGNMYLA-UHFFFAOYSA-N
XLogP8.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 163739599
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
2-(8-chlorodibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146651147
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213128
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
boranuide;2-[3-(11-chloro-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165053347
2-dibenzofuran-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 137496487) is 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is Clc1cc(Cl)c2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.
What is the InChIKey of 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PIFCANGYGNMYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15Cl2N3O/c28-19-14-21-20-13-18(11-12-23(20)33-24(21)22(29)15-19)27-31-25(16-7-3-1-4-8-16)30-26(32-27)17-9-5-2-6-10-17/h1-15H.
What are the key properties of 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 468.34 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 137496487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).