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

C43H28N4O — CID 168785006

IUPAC4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine
SMILESCN1CC=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)n2)c2c1oc1ccccc21
InChIInChI=1S/C43H28N4O/c1-47-23-22-35(39-34-15-7-8-17-37(34)48-43(39)47)42-45-40(27-10-3-2-4-11-27)44-41(46-42)28-20-18-26(19-21-28)30-24-29-12-9-16-33-31-13-5-6-14-32(31)36(25-30)38(29)33/h2-22,24-25H,23H2,1H3
InChIKeyMFJRHDXHFVPQPL-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.30
Rot. Bonds4

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

4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine (PubChem CID 168785006) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine
PubChem CID168785006
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine
SMILESCN1CC=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)n2)c2c1oc1ccccc21
InChIInChI=1S/C43H28N4O/c1-47-23-22-35(39-34-15-7-8-17-37(34)48-43(39)47)42-45-40(27-10-3-2-4-11-27)44-41(46-42)28-20-18-26(19-21-28)30-24-29-12-9-16-33-31-13-5-6-14-32(31)36(25-30)38(29)33/h2-22,24-25H,23H2,1H3
InChIKeyMFJRHDXHFVPQPL-UHFFFAOYSA-N
XLogP10.30
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine
CID 158489259
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
CID 163851853
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785351
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298
2-fluoranthen-2-yl-4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393164
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine (CID 168785006) is 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine is CN1CC=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)n2)c2c1oc1ccccc21.
What is the InChIKey of 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MFJRHDXHFVPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-47-23-22-35(39-34-15-7-8-17-37(34)48-43(39)47)42-45-40(27-10-3-2-4-11-27)44-41(46-42)28-20-18-26(19-21-28)30-24-29-12-9-16-33-31-13-5-6-14-32(31)36(25-30)38(29)33/h2-22,24-25H,23H2,1H3.
What are the key properties of 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine?
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine has a molecular weight of 616.72 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168785006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).