5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

C42H26N4O — CID 166801235

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3c(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)NC1
InChIInChI=1S/C42H26N4O/c1-3-11-25(12-4-1)39-44-40(26-13-5-2-6-14-26)46-41(45-39)33-21-20-29(38-37(33)34-19-10-22-43-42(34)47-38)28-23-27-15-9-18-32-30-16-7-8-17-31(30)35(24-28)36(27)32/h1-21,23-24,43H,22H2
InChIKeyVWQGIZDGXFKRIW-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.53
Rot. Bonds4

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 166801235) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID166801235
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3c(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)NC1
InChIInChI=1S/C42H26N4O/c1-3-11-25(12-4-1)39-44-40(26-13-5-2-6-14-26)46-41(45-39)33-21-20-29(38-37(33)34-19-10-22-43-42(34)47-38)28-23-27-15-9-18-32-30-16-7-8-17-31(30)35(24-28)36(27)32/h1-21,23-24,43H,22H2
InChIKeyVWQGIZDGXFKRIW-UHFFFAOYSA-N
XLogP10.53
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 166801235) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=Cc2c(oc3c(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)NC1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is VWQGIZDGXFKRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-3-11-25(12-4-1)39-44-40(26-13-5-2-6-14-26)46-41(45-39)33-21-20-29(38-37(33)34-19-10-22-43-42(34)47-38)28-23-27-15-9-18-32-30-16-7-8-17-31(30)35(24-28)36(27)32/h1-21,23-24,43H,22H2.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 602.70 g/mol, XLogP of 10.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 166801235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).