2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C53H33N3O — CID 176818458

IUPAC2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c6ccccc6c(-c6cccc7ccccc67)cc54)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)35-26-28-38(29-27-35)51-54-52(56-53(55-51)46-24-12-9-21-41(46)36-16-5-2-6-17-36)39-30-31-44-48-33-47(42-25-13-19-37-18-7-8-20-40(37)42)43-22-10-11-23-45(43)50(48)57-49(44)32-39/h1-33H
InChIKeyFYKKCUDRPFIZHW-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176818458) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176818458
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c6ccccc6c(-c6cccc7ccccc67)cc54)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)35-26-28-38(29-27-35)51-54-52(56-53(55-51)46-24-12-9-21-41(46)36-16-5-2-6-17-36)39-30-31-44-48-33-47(42-25-13-19-37-18-7-8-20-40(37)42)43-22-10-11-23-45(43)50(48)57-49(44)32-39/h1-33H
InChIKeyFYKKCUDRPFIZHW-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 176817695
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 176818458) is 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c6ccccc6c(-c6cccc7ccccc67)cc54)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FYKKCUDRPFIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-14-34(15-4-1)35-26-28-38(29-27-35)51-54-52(56-53(55-51)46-24-12-9-21-41(46)36-16-5-2-6-17-36)39-30-31-44-48-33-47(42-25-13-19-37-18-7-8-20-40(37)42)43-22-10-11-23-45(43)50(48)57-49(44)32-39/h1-33H.
What are the key properties of 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176818458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).