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

C42H24N4O — CID 168785232

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4oc5cnccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)35-21-20-33(39-38(35)34-22-23-43-24-36(34)47-39)29-18-19-32-28-15-8-7-14-27(28)30-16-9-17-31(29)37(30)32/h1-24H
InChIKeyCEZSOTOMNNLAMC-UHFFFAOYSA-N
MW600.68 g/mol
LogP10.63
Rot. Bonds4

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785232) has the molecular formula C42H24N4O and a molecular weight of 600.68 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID168785232
Molecular FormulaC42H24N4O
Molecular Weight600.68 g/mol
Exact Mass600.20
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4oc5cnccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)35-21-20-33(39-38(35)34-22-23-43-24-36(34)47-39)29-18-19-32-28-15-8-7-14-27(28)30-16-9-17-31(29)37(30)32/h1-24H
InChIKeyCEZSOTOMNNLAMC-UHFFFAOYSA-N
XLogP10.63
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

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
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 163916275
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785118
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155079474
4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785590
9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801679

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine (CID 168785232) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4oc5cnccc5c34)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is CEZSOTOMNNLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)35-21-20-33(39-38(35)34-22-23-43-24-36(34)47-39)29-18-19-32-28-15-8-7-14-27(28)30-16-9-17-31(29)37(30)32/h1-24H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 600.68 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 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-3-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).