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

C42H22N4O2 — CID 168785124

IUPAC4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)-c1cccc3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cncc6oc7ccccc7c56)n4)ccc-2c13
InChIInChI=1S/C42H22N4O2/c1-2-10-24-23(9-1)25-13-7-14-26-28(20-19-27(24)37(25)26)40-44-41(31-15-8-18-35-38(31)29-11-3-5-16-33(29)47-35)46-42(45-40)32-21-43-22-36-39(32)30-12-4-6-17-34(30)48-36/h1-22H
InChIKeyDFSABJQLWUGNPF-UHFFFAOYSA-N
MW614.66 g/mol
LogP10.87
Rot. Bonds3

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

4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785124) has the molecular formula C42H22N4O2 and a molecular weight of 614.66 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID168785124
Molecular FormulaC42H22N4O2
Molecular Weight614.66 g/mol
Exact Mass614.17
IUPAC Name4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)-c1cccc3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cncc6oc7ccccc7c56)n4)ccc-2c13
InChIInChI=1S/C42H22N4O2/c1-2-10-24-23(9-1)25-13-7-14-26-28(20-19-27(24)37(25)26)40-44-41(31-15-8-18-35-38(31)29-11-3-5-16-33(29)47-35)46-42(45-40)32-21-43-22-36-39(32)30-12-4-6-17-34(30)48-36/h1-22H
InChIKeyDFSABJQLWUGNPF-UHFFFAOYSA-N
XLogP10.87
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.66
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785513
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166502522
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
4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785129
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 168785016
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785062
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 168785124) is 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc2c(c1)-c1cccc3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cncc6oc7ccccc7c56)n4)ccc-2c13.
What is the InChIKey of 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is DFSABJQLWUGNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N4O2/c1-2-10-24-23(9-1)25-13-7-14-26-28(20-19-27(24)37(25)26)40-44-41(31-15-8-18-35-38(31)29-11-3-5-16-33(29)47-35)46-42(45-40)32-21-43-22-36-39(32)30-12-4-6-17-34(30)48-36/h1-22H.
What are the key properties of 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 614.66 g/mol, XLogP of 10.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).