2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine

C27H16ClN3O — CID 138505665

IUPAC2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)n1
InChIInChI=1S/C27H16ClN3O/c28-27-30-25(18-11-5-2-6-12-18)29-26(31-27)22-16-8-15-21-20-14-7-13-19(23(20)32-24(21)22)17-9-3-1-4-10-17/h1-16H
InChIKeyASRJECSHOOIUOZ-UHFFFAOYSA-N
MW433.90 g/mol
LogP7.43
Rot. Bonds3

About 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine

2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 138505665) has the molecular formula C27H16ClN3O and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
PubChem CID138505665
Molecular FormulaC27H16ClN3O
Molecular Weight433.90 g/mol
Exact Mass433.10
IUPAC Name2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)n1
InChIInChI=1S/C27H16ClN3O/c28-27-30-25(18-11-5-2-6-12-18)29-26(31-27)22-16-8-15-21-20-14-7-13-19(23(20)32-24(21)22)17-9-3-1-4-10-17/h1-16H
InChIKeyASRJECSHOOIUOZ-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

2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-chloro-4-phenyl-6-(9-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155096858
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163625706
2-chloro-4-(4-phenylphenyl)-6-(6,7,8,9-tetradeuteriodibenzofuran-4-yl)-1,3,5-triazine
CID 168953715
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine (CID 138505665) is 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is ASRJECSHOOIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3O/c28-27-30-25(18-11-5-2-6-12-18)29-26(31-27)22-16-8-15-21-20-14-7-13-19(23(20)32-24(21)22)17-9-3-1-4-10-17/h1-16H.
What are the key properties of 2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-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-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 138505665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).