2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine

C35H21N3O — CID 159485403

IUPAC2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3cc5ccccc5cc34)n2)cc1
InChIInChI=1S/C35H21N3O/c1-2-11-23(12-3-1)33-36-34(28-18-8-15-22-10-6-7-16-26(22)28)38-35(37-33)29-19-9-17-27-30-20-24-13-4-5-14-25(24)21-31(30)39-32(27)29/h1-21H
InChIKeyLXNBLSIXCBOFSX-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine

2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 159485403) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
PubChem CID159485403
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3cc5ccccc5cc34)n2)cc1
InChIInChI=1S/C35H21N3O/c1-2-11-23(12-3-1)33-36-34(28-18-8-15-22-10-6-7-16-26(22)28)38-35(37-33)29-19-9-17-27-30-20-24-13-4-5-14-25(24)21-31(30)39-32(27)29/h1-21H
InChIKeyLXNBLSIXCBOFSX-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 163440305
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-2-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-4-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163703326
2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 146663712
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 163416879
2-[4-[1-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169294627
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-3-yl-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 159392397

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine (CID 159485403) is 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3cc5ccccc5cc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine?
The InChIKey is LXNBLSIXCBOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-2-11-23(12-3-1)33-36-34(28-18-8-15-22-10-6-7-16-26(22)28)38-35(37-33)29-19-9-17-27-30-20-24-13-4-5-14-25(24)21-31(30)39-32(27)29/h1-21H.
What are the key properties of 2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine?
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 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-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 159485403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).