2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

C57H33N3O2 — CID 174198497

IUPAC2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)nc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)n4)cc3c2)cc1
InChIInChI=1S/C57H33N3O2/c1-2-11-34(12-3-1)36-25-23-35-24-27-38(30-40(35)29-36)55-58-56(39-28-26-37-32-49-45-13-4-6-20-50(45)62-53(49)33-41(37)31-39)60-57(59-55)47-19-9-15-42-43(16-8-17-44(42)47)46-18-10-22-52-54(46)48-14-5-7-21-51(48)61-52/h1-33H
InChIKeyKZXICGIKDSOQRY-UHFFFAOYSA-N
MW791.91 g/mol
LogP15.47
Rot. Bonds5

About 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 174198497) has the molecular formula C57H33N3O2 and a molecular weight of 791.91 g/mol. Its IUPAC name is 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID174198497
Molecular FormulaC57H33N3O2
Molecular Weight791.91 g/mol
Exact Mass791.26
IUPAC Name2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)nc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)n4)cc3c2)cc1
InChIInChI=1S/C57H33N3O2/c1-2-11-34(12-3-1)36-25-23-35-24-27-38(30-40(35)29-36)55-58-56(39-28-26-37-32-49-45-13-4-6-20-50(45)62-53(49)33-41(37)31-39)60-57(59-55)47-19-9-15-42-43(16-8-17-44(42)47)46-18-10-22-52-54(46)48-14-5-7-21-51(48)61-52/h1-33H
InChIKeyKZXICGIKDSOQRY-UHFFFAOYSA-N
XLogP15.47
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.91
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
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-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
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-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-9-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198668
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198592
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163842076
2-[5-(8-naphthalen-2-yldibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742938
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 174198497) is 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)nc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)n4)cc3c2)cc1.
What is the InChIKey of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is KZXICGIKDSOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2/c1-2-11-34(12-3-1)36-25-23-35-24-27-38(30-40(35)29-36)55-58-56(39-28-26-37-32-49-45-13-4-6-20-50(45)62-53(49)33-41(37)31-39)60-57(59-55)47-19-9-15-42-43(16-8-17-44(42)47)46-18-10-22-52-54(46)48-14-5-7-21-51(48)61-52/h1-33H.
What are the key properties of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 791.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 174198497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).