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

C35H25N3O — CID 155382782

IUPAC6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2NC(c3cccc4ccccc34)=NC(c3ccc4ccc5oc6ccccc6c5c4c3)N2)cc1
InChIInChI=1S/C35H25N3O/c1-2-10-24(11-3-1)33-36-34(38-35(37-33)27-15-8-12-22-9-4-5-13-26(22)27)25-18-17-23-19-20-31-32(29(23)21-25)28-14-6-7-16-30(28)39-31/h1-21,33-34,36H,(H,37,38)
InChIKeyYBPPHLZONFHQDK-UHFFFAOYSA-N
MW503.61 g/mol
LogP8.23
Rot. Bonds3

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

6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 155382782) has the molecular formula C35H25N3O and a molecular weight of 503.61 g/mol. Its IUPAC name is 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID155382782
Molecular FormulaC35H25N3O
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC Name6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2NC(c3cccc4ccccc34)=NC(c3ccc4ccc5oc6ccccc6c5c4c3)N2)cc1
InChIInChI=1S/C35H25N3O/c1-2-10-24(11-3-1)33-36-34(38-35(37-33)27-15-8-12-22-9-4-5-13-26(22)27)25-18-17-23-19-20-31-32(29(23)21-25)28-14-6-7-16-30(28)39-31/h1-21,33-34,36H,(H,37,38)
InChIKeyYBPPHLZONFHQDK-UHFFFAOYSA-N
XLogP8.23
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
9-(4-naphthalen-2-yl-2-phenanthren-3-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801866
6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163856482
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886
6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801479
9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801692
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
9-[2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 166801790
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801193

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 155382782) is 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2NC(c3cccc4ccccc34)=NC(c3ccc4ccc5oc6ccccc6c5c4c3)N2)cc1.
What is the InChIKey of 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is YBPPHLZONFHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O/c1-2-10-24(11-3-1)33-36-34(38-35(37-33)27-15-8-12-22-9-4-5-13-26(22)27)25-18-17-23-19-20-31-32(29(23)21-25)28-14-6-7-16-30(28)39-31/h1-21,33-34,36H,(H,37,38).
What are the key properties of 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 503.61 g/mol, XLogP of 8.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 155382782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).