4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine

C36H20N4O — CID 168785351

IUPAC4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)nc(-c3ccnc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C36H20N4O/c1-2-9-21(10-3-1)33-38-34(23-19-22-11-8-15-26-24-12-4-5-13-25(24)29(20-23)31(22)26)40-35(39-33)28-17-18-37-36-32(28)27-14-6-7-16-30(27)41-36/h1-20H
InChIKeyHFOIMXZPWDNDLW-UHFFFAOYSA-N
MW524.58 g/mol
LogP8.97
Rot. Bonds3

About 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine

4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168785351) has the molecular formula C36H20N4O and a molecular weight of 524.58 g/mol. Its IUPAC name is 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168785351
Molecular FormulaC36H20N4O
Molecular Weight524.58 g/mol
Exact Mass524.16
IUPAC Name4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)nc(-c3ccnc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C36H20N4O/c1-2-9-21(10-3-1)33-38-34(23-19-22-11-8-15-26-24-12-4-5-13-25(24)29(20-23)31(22)26)40-35(39-33)28-17-18-37-36-32(28)27-14-6-7-16-30(27)41-36/h1-20H
InChIKeyHFOIMXZPWDNDLW-UHFFFAOYSA-N
XLogP8.97
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

4-(4-dibenzofuran-1-yl-6-fluoranthen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785429
4-[4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166801951
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394
4-(4-chrysen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168784952
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785558
9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 168785246
4-(4-dibenzofuran-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785526
4-(4-chrysen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785687
12-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163838636
12-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163962549
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
4-(4-chrysen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785220

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 168785351) is 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)nc(-c3ccnc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HFOIMXZPWDNDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O/c1-2-9-21(10-3-1)33-38-34(23-19-22-11-8-15-26-24-12-4-5-13-25(24)29(20-23)31(22)26)40-35(39-33)28-17-18-37-36-32(28)27-14-6-7-16-30(27)41-36/h1-20H.
What are the key properties of 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 524.58 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168785351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).