4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine

C43H28N4O — CID 158489259

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine
SMILESCN1C=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3cc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc23)C1
InChIInChI=1S/C43H28N4O/c1-47-24-36(43-45-41(26-11-4-2-5-12-26)44-42(46-43)27-13-6-3-7-14-27)40-34-20-19-28(23-37(34)48-38(40)25-47)30-21-29-15-10-18-33-31-16-8-9-17-32(31)35(22-30)39(29)33/h2-24H,25H2,1H3
InChIKeyHIMKJKFHBGWNBJ-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.25
Rot. Bonds4

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine (PubChem CID 158489259) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine
PubChem CID158489259
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine
SMILESCN1C=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3cc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc23)C1
InChIInChI=1S/C43H28N4O/c1-47-24-36(43-45-41(26-11-4-2-5-12-26)44-42(46-43)27-13-6-3-7-14-27)40-34-20-19-28(23-37(34)48-38(40)25-47)30-21-29-15-10-18-33-31-16-8-9-17-32(31)35(22-30)39(29)33/h2-24H,25H2,1H3
InChIKeyHIMKJKFHBGWNBJ-UHFFFAOYSA-N
XLogP10.25
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 ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
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-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797654
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 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) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine is CN1C=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3cc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc23)C1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine?
The InChIKey is HIMKJKFHBGWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-47-24-36(43-45-41(26-11-4-2-5-12-26)44-42(46-43)27-13-6-3-7-14-27)40-34-20-19-28(23-37(34)48-38(40)25-47)30-21-29-15-10-18-33-31-16-8-9-17-32(31)35(22-30)39(29)33/h2-24H,25H2,1H3.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine has a molecular weight of 616.72 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-fluoranthen-2-yl-2-methyl-1H-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 158489259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).