2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine

C27H16ClN3O — CID 163739599

IUPAC2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c12
InChIInChI=1S/C27H16ClN3O/c28-21-12-7-13-23-24(21)20-16-19(14-15-22(20)32-23)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H
InChIKeyLGPRDGLENWMNTB-UHFFFAOYSA-N
MW433.90 g/mol
LogP7.43
Rot. Bonds3

About 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 163739599) has the molecular formula C27H16ClN3O and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID163739599
Molecular FormulaC27H16ClN3O
Molecular Weight433.90 g/mol
Exact Mass433.10
IUPAC Name2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c12
InChIInChI=1S/C27H16ClN3O/c28-21-12-7-13-23-24(21)20-16-19(14-15-22(20)32-23)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H
InChIKeyLGPRDGLENWMNTB-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

2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-[8-(4-chlorophenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142427415
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-chloro-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 148797499
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138672004

Frequently Asked Questions

What is the IUPAC name of 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 163739599) is 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is Clc1cccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c12.
What is the InChIKey of 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LGPRDGLENWMNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3O/c28-21-12-7-13-23-24(21)20-16-19(14-15-22(20)32-23)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H.
What are the key properties of 2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-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-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163739599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).