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

C33H18ClN3O2 — CID 162471283

IUPAC2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc12
InChIInChI=1S/C33H18ClN3O2/c34-21-14-16-23-22-15-13-20(17-28(22)39-29(23)18-21)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-10-6-12-27-30(25)24-9-4-5-11-26(24)38-27/h1-18H
InChIKeyWSQPVQWNEOCPCF-UHFFFAOYSA-N
MW523.98 g/mol
LogP9.32
Rot. Bonds3

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

2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 162471283) has the molecular formula C33H18ClN3O2 and a molecular weight of 523.98 g/mol. Its IUPAC name is 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
PubChem CID162471283
Molecular FormulaC33H18ClN3O2
Molecular Weight523.98 g/mol
Exact Mass523.11
IUPAC Name2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc12
InChIInChI=1S/C33H18ClN3O2/c34-21-14-16-23-22-15-13-20(17-28(22)39-29(23)18-21)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-10-6-12-27-30(25)24-9-4-5-11-26(24)38-27/h1-18H
InChIKeyWSQPVQWNEOCPCF-UHFFFAOYSA-N
XLogP9.32
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.98
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587100
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741757
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (CID 162471283) is 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is Clc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc12.
What is the InChIKey of 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is WSQPVQWNEOCPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18ClN3O2/c34-21-14-16-23-22-15-13-20(17-28(22)39-29(23)18-21)32-35-31(19-7-2-1-3-8-19)36-33(37-32)25-10-6-12-27-30(25)24-9-4-5-11-26(24)38-27/h1-18H.
What are the key properties of 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 523.98 g/mol, XLogP of 9.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 162471283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).