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

C54H33N3O — CID 171587149

IUPAC2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4-c4c(cccc4-c4cccc6oc7cc8ccccc8cc7c46)C5)n3)cc2)cc1
InChIInChI=1S/C54H33N3O/c1-2-11-33(12-3-1)35-23-26-36(27-24-35)52-55-53(42-28-25-34-13-4-5-14-37(34)29-42)57-54(56-52)45-21-9-18-41-30-40-17-8-19-43(49(40)50(41)45)44-20-10-22-47-51(44)46-31-38-15-6-7-16-39(38)32-48(46)58-47/h1-29,31-32H,30H2
InChIKeyXNJFXOZDGFXHQF-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.98
Rot. Bonds5

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

2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 171587149) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID171587149
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4-c4c(cccc4-c4cccc6oc7cc8ccccc8cc7c46)C5)n3)cc2)cc1
InChIInChI=1S/C54H33N3O/c1-2-11-33(12-3-1)35-23-26-36(27-24-35)52-55-53(42-28-25-34-13-4-5-14-37(34)29-42)57-54(56-52)45-21-9-18-41-30-40-17-8-19-43(49(40)50(41)45)44-20-10-22-47-51(44)46-31-38-15-6-7-16-39(38)32-48(46)58-47/h1-29,31-32H,30H2
InChIKeyXNJFXOZDGFXHQF-UHFFFAOYSA-N
XLogP13.98
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
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-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163570291
2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 170926710
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-[5-(8-naphthalen-2-yldibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742938
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163688076
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 171587149) is 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4-c4c(cccc4-c4cccc6oc7cc8ccccc8cc7c46)C5)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is XNJFXOZDGFXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-2-11-33(12-3-1)35-23-26-36(27-24-35)52-55-53(42-28-25-34-13-4-5-14-37(34)29-42)57-54(56-52)45-21-9-18-41-30-40-17-8-19-43(49(40)50(41)45)44-20-10-22-47-51(44)46-31-38-15-6-7-16-39(38)32-48(46)58-47/h1-29,31-32H,30H2.
What are the key properties of 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 739.88 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171587149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).