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

C26H15ClN4O — CID 171832576

IUPAC2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccnc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C26H15ClN4O/c27-18-12-13-28-21(15-18)26-30-24(16-6-2-1-3-7-16)29-25(31-26)17-10-11-20-19-8-4-5-9-22(19)32-23(20)14-17/h1-15H
InChIKeyMDMAPAGHMKJDSU-UHFFFAOYSA-N
MW434.89 g/mol
LogP6.82
Rot. Bonds3

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

2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 171832576) has the molecular formula C26H15ClN4O and a molecular weight of 434.89 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
PubChem CID171832576
Molecular FormulaC26H15ClN4O
Molecular Weight434.89 g/mol
Exact Mass434.09
IUPAC Name2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccnc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C26H15ClN4O/c27-18-12-13-28-21(15-18)26-30-24(16-6-2-1-3-7-16)29-25(31-26)17-10-11-20-19-8-4-5-9-22(19)32-23(20)14-17/h1-15H
InChIKeyMDMAPAGHMKJDSU-UHFFFAOYSA-N
XLogP6.82
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.89
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine (CID 171832576) is 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine is Clc1ccnc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is MDMAPAGHMKJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClN4O/c27-18-12-13-28-21(15-18)26-30-24(16-6-2-1-3-7-16)29-25(31-26)17-10-11-20-19-8-4-5-9-22(19)32-23(20)14-17/h1-15H.
What are the key properties of 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 434.89 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171832576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).