2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine

C27H16ClN3O — CID 170668166

IUPAC2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C27H16ClN3O/c28-20-12-13-21-22-15-19(11-14-23(22)32-24(21)16-20)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18/h1-16H
InChIKeyBKDDNWYKZVHAIF-UHFFFAOYSA-N
MW433.90 g/mol
LogP7.43
Rot. Bonds3

About 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 170668166) has the molecular formula C27H16ClN3O and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID170668166
Molecular FormulaC27H16ClN3O
Molecular Weight433.90 g/mol
Exact Mass433.10
IUPAC Name2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C27H16ClN3O/c28-20-12-13-21-22-15-19(11-14-23(22)32-24(21)16-20)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18/h1-16H
InChIKeyBKDDNWYKZVHAIF-UHFFFAOYSA-N
XLogP7.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-phenyldibenzofuran
CID 146877075
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
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-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 170668166) is 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is Clc1ccc2c(c1)oc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.
What is the InChIKey of 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BKDDNWYKZVHAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3O/c28-20-12-13-21-22-15-19(11-14-23(22)32-24(21)16-20)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 433.90 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170668166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).