9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine

C36H20N4O — CID 168785246

IUPAC9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)nc(-c3cccc4oc5ccncc5c34)n2)cc1
InChIInChI=1S/C36H20N4O/c1-2-8-21(9-3-1)34-38-35(23-18-22-10-6-13-26-24-11-4-5-12-25(24)28(19-23)32(22)26)40-36(39-34)27-14-7-15-31-33(27)29-20-37-17-16-30(29)41-31/h1-20H
InChIKeyRKEGRTWXKLEMLU-UHFFFAOYSA-N
MW524.58 g/mol
LogP8.97
Rot. Bonds3

About 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine

9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785246) has the molecular formula C36H20N4O and a molecular weight of 524.58 g/mol. Its IUPAC name is 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
PubChem CID168785246
Molecular FormulaC36H20N4O
Molecular Weight524.58 g/mol
Exact Mass524.16
IUPAC Name9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)nc(-c3cccc4oc5ccncc5c34)n2)cc1
InChIInChI=1S/C36H20N4O/c1-2-8-21(9-3-1)34-38-35(23-18-22-10-6-13-26-24-11-4-5-12-25(24)28(19-23)32(22)26)40-36(39-34)27-14-7-15-31-33(27)29-20-37-17-16-30(29)41-31/h1-20H
InChIKeyRKEGRTWXKLEMLU-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 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785118
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 168785581
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168784979
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785351
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
4-(4-dibenzofuran-1-yl-6-fluoranthen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785429
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine
CID 168785611
9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801679
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 155404550
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine (CID 168785246) is 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)nc(-c3cccc4oc5ccncc5c34)n2)cc1.
What is the InChIKey of 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is RKEGRTWXKLEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O/c1-2-8-21(9-3-1)34-38-35(23-18-22-10-6-13-26-24-11-4-5-12-25(24)28(19-23)32(22)26)40-36(39-34)27-14-7-15-31-33(27)29-20-37-17-16-30(29)41-31/h1-20H.
What are the key properties of 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]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 9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).