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

C42H28N4O2 — CID 157346333

IUPAC5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3cccc(C4=NC(c5cc6c7c(cccc7c5)-c5ccccc5-6)NC(c5cccc6oc7ccccc7c56)N4)c23)NC1
InChIInChI=1S/C42H28N4O2/c1-2-11-26-25(10-1)27-13-5-9-23-21-24(22-32(26)36(23)27)39-44-40(29-14-6-18-34-37(29)28-12-3-4-17-33(28)47-34)46-41(45-39)30-15-7-19-35-38(30)31-16-8-20-43-42(31)48-35/h1-19,21-22,39-40,43-44H,20H2,(H,45,46)
InChIKeyBHABDTGXVXCHKK-UHFFFAOYSA-N
MW620.71 g/mol
LogP9.91
Rot. Bonds3

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

5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 157346333) has the molecular formula C42H28N4O2 and a molecular weight of 620.71 g/mol. Its IUPAC name is 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID157346333
Molecular FormulaC42H28N4O2
Molecular Weight620.71 g/mol
Exact Mass620.22
IUPAC Name5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3cccc(C4=NC(c5cc6c7c(cccc7c5)-c5ccccc5-6)NC(c5cccc6oc7ccccc7c56)N4)c23)NC1
InChIInChI=1S/C42H28N4O2/c1-2-11-26-25(10-1)27-13-5-9-23-21-24(22-32(26)36(23)27)39-44-40(29-14-6-18-34-37(29)28-12-3-4-17-33(28)47-34)46-41(45-39)30-15-7-19-35-38(30)31-16-8-20-43-42(31)48-35/h1-19,21-22,39-40,43-44H,20H2,(H,45,46)
InChIKeyBHABDTGXVXCHKK-UHFFFAOYSA-N
XLogP9.91
TPSA74.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.71
LogP ≤ 59.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801193
5-(2-dibenzofuran-1-yl-4-phenanthren-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801343
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
1-[3-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166800136
10-[2-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 166800145
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
9-[2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 166801790
9-(4-naphthalen-2-yl-2-phenanthren-3-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801866
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]quinoline
CID 166800231
12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 166799997
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 157346333) is 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=Cc2c(oc3cccc(C4=NC(c5cc6c7c(cccc7c5)-c5ccccc5-6)NC(c5cccc6oc7ccccc7c56)N4)c23)NC1.
What is the InChIKey of 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is BHABDTGXVXCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O2/c1-2-11-26-25(10-1)27-13-5-9-23-21-24(22-32(26)36(23)27)39-44-40(29-14-6-18-34-37(29)28-12-3-4-17-33(28)47-34)46-41(45-39)30-15-7-19-35-38(30)31-16-8-20-43-42(31)48-35/h1-19,21-22,39-40,43-44H,20H2,(H,45,46).
What are the key properties of 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 620.71 g/mol, XLogP of 9.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157346333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).