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

C40H22N4O — CID 168785131

IUPAC1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)-c4cccc6cccc-5c46)nc(-c4nccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C40H22N4O/c1-2-8-25-21-26(16-15-23(25)7-1)38-42-39(27-17-18-28-29-12-5-9-24-10-6-13-30(35(24)29)32(28)22-27)44-40(43-38)37-36-31-11-3-4-14-33(31)45-34(36)19-20-41-37/h1-22H
InChIKeyHEDOEWSKCGDJKC-UHFFFAOYSA-N
MW574.64 g/mol
LogP10.12
Rot. Bonds3

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

1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785131) has the molecular formula C40H22N4O and a molecular weight of 574.64 g/mol. Its IUPAC name is 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
PubChem CID168785131
Molecular FormulaC40H22N4O
Molecular Weight574.64 g/mol
Exact Mass574.18
IUPAC Name1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)-c4cccc6cccc-5c46)nc(-c4nccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C40H22N4O/c1-2-8-25-21-26(16-15-23(25)7-1)38-42-39(27-17-18-28-29-12-5-9-24-10-6-13-30(35(24)29)32(28)22-27)44-40(43-38)37-36-31-11-3-4-14-33(31)45-34(36)19-20-41-37/h1-22H
InChIKeyHEDOEWSKCGDJKC-UHFFFAOYSA-N
XLogP10.12
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chrysen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 163659374
2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171445256
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439520
2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164747860
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine (CID 168785131) is 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine is c1ccc2cc(-c3nc(-c4ccc5c(c4)-c4cccc6cccc-5c46)nc(-c4nccc5oc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is HEDOEWSKCGDJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O/c1-2-8-25-21-26(16-15-23(25)7-1)38-42-39(27-17-18-28-29-12-5-9-24-10-6-13-30(35(24)29)32(28)22-27)44-40(43-38)37-36-31-11-3-4-14-33(31)45-34(36)19-20-41-37/h1-22H.
What are the key properties of 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?
1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 574.64 g/mol, XLogP of 10.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).