2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine

C39H20ClN3O3 — CID 153369338

IUPAC2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
SMILESClc1ccc2oc3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3c2c1
InChIInChI=1S/C39H20ClN3O3/c40-21-18-19-32-29(20-21)34-26(12-7-17-33(34)44-32)37-41-38(27-13-5-10-24-22-8-1-3-15-30(22)45-35(24)27)43-39(42-37)28-14-6-11-25-23-9-2-4-16-31(23)46-36(25)28/h1-20H
InChIKeyFPXHPLARBHMXSZ-UHFFFAOYSA-N
MW614.06 g/mol
LogP11.22
Rot. Bonds3

About 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine

2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 153369338) has the molecular formula C39H20ClN3O3 and a molecular weight of 614.06 g/mol. Its IUPAC name is 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
PubChem CID153369338
Molecular FormulaC39H20ClN3O3
Molecular Weight614.06 g/mol
Exact Mass613.12
IUPAC Name2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
SMILESClc1ccc2oc3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3c2c1
InChIInChI=1S/C39H20ClN3O3/c40-21-18-19-32-29(20-21)34-26(12-7-17-33(34)44-32)37-41-38(27-13-5-10-24-22-8-1-3-15-30(22)45-35(24)27)43-39(42-37)28-14-6-11-25-23-9-2-4-16-31(23)46-36(25)28/h1-20H
InChIKeyFPXHPLARBHMXSZ-UHFFFAOYSA-N
XLogP11.22
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.06
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
2-(8-chlorodibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146651147
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844516
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 153037447

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine (CID 153369338) is 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine is Clc1ccc2oc3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3c2c1.
What is the InChIKey of 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is FPXHPLARBHMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H20ClN3O3/c40-21-18-19-32-29(20-21)34-26(12-7-17-33(34)44-32)37-41-38(27-13-5-10-24-22-8-1-3-15-30(22)45-35(24)27)43-39(42-37)28-14-6-11-25-23-9-2-4-16-31(23)46-36(25)28/h1-20H.
What are the key properties of 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 614.06 g/mol, XLogP of 11.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 153369338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).