2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C57H35N3O — CID 156558838

IUPAC2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc5oc6c(-c7ccc(-c8cccc9ccccc89)cc7)cccc6c5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3O/c1-2-13-36(14-3-1)37-27-33-42(34-28-37)55-58-56(49-25-11-18-39-16-5-7-20-45(39)49)60-57(59-55)51-35-52-53(48-22-9-8-21-47(48)51)50-26-12-24-46(54(50)61-52)41-31-29-40(30-32-41)44-23-10-17-38-15-4-6-19-43(38)44/h1-35H
InChIKeyFYEKKSZTDQUGDF-UHFFFAOYSA-N
MW777.93 g/mol
LogP15.23
Rot. Bonds6

About 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 156558838) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID156558838
Molecular FormulaC57H35N3O
Molecular Weight777.93 g/mol
Exact Mass777.28
IUPAC Name2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc5oc6c(-c7ccc(-c8cccc9ccccc89)cc7)cccc6c5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3O/c1-2-13-36(14-3-1)37-27-33-42(34-28-37)55-58-56(49-25-11-18-39-16-5-7-20-45(39)49)60-57(59-55)51-35-52-53(48-22-9-8-21-47(48)51)50-26-12-24-46(54(50)61-52)41-31-29-40(30-32-41)44-23-10-17-38-15-4-6-19-43(38)44/h1-35H
InChIKeyFYEKKSZTDQUGDF-UHFFFAOYSA-N
XLogP15.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808637
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808539
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403127
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 171757236
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
CID 167403219
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[6-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-(6-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 165030150
2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808482
2-[3-[3-(4-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430152

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 156558838) is 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc5oc6c(-c7ccc(-c8cccc9ccccc89)cc7)cccc6c5c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FYEKKSZTDQUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-2-13-36(14-3-1)37-27-33-42(34-28-37)55-58-56(49-25-11-18-39-16-5-7-20-45(39)49)60-57(59-55)51-35-52-53(48-22-9-8-21-47(48)51)50-26-12-24-46(54(50)61-52)41-31-29-40(30-32-41)44-23-10-17-38-15-4-6-19-43(38)44/h1-35H.
What are the key properties of 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156558838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).