2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

C43H24ClN3O2 — CID 166743487

IUPAC2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c3c2c1
InChIInChI=1S/C43H24ClN3O2/c44-26-20-23-36-34(24-26)39-30(15-8-18-37(39)49-36)29-21-22-31(28-13-5-4-12-27(28)29)42-45-41(25-10-2-1-3-11-25)46-43(47-42)33-16-9-19-38-40(33)32-14-6-7-17-35(32)48-38/h1-24H
InChIKeyGKTWGDDVTVTDGE-UHFFFAOYSA-N
MW650.14 g/mol
LogP12.15
Rot. Bonds4

About 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 166743487) has the molecular formula C43H24ClN3O2 and a molecular weight of 650.14 g/mol. Its IUPAC name is 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
PubChem CID166743487
Molecular FormulaC43H24ClN3O2
Molecular Weight650.14 g/mol
Exact Mass649.16
IUPAC Name2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c3c2c1
InChIInChI=1S/C43H24ClN3O2/c44-26-20-23-36-34(24-26)39-30(15-8-18-37(39)49-36)29-21-22-31(28-13-5-4-12-27(28)29)42-45-41(25-10-2-1-3-11-25)46-43(47-42)33-16-9-19-38-40(33)32-14-6-7-17-35(32)48-38/h1-24H
InChIKeyGKTWGDDVTVTDGE-UHFFFAOYSA-N
XLogP12.15
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.14
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 153037447
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
2-[8-(4-chlorophenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142427415
2-(8-chlorodibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059443
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 153369338

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (CID 166743487) is 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is Clc1ccc2oc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c3c2c1.
What is the InChIKey of 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is GKTWGDDVTVTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24ClN3O2/c44-26-20-23-36-34(24-26)39-30(15-8-18-37(39)49-36)29-21-22-31(28-13-5-4-12-27(28)29)42-45-41(25-10-2-1-3-11-25)46-43(47-42)33-16-9-19-38-40(33)32-14-6-7-17-35(32)48-38/h1-24H.
What are the key properties of 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 650.14 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166743487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).