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

C40H28N4O — CID 166801790

IUPAC9-[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
SMILESc1ccc(-c2cc(C3N=C(c4cccc5oc6cccnc6c45)NC(c4ccc5ccccc5c4)N3)cc3ccccc23)cc1
InChIInChI=1S/C40H28N4O/c1-2-11-26(12-3-1)33-24-30(23-28-14-6-7-15-31(28)33)39-42-38(29-20-19-25-10-4-5-13-27(25)22-29)43-40(44-39)32-16-8-17-34-36(32)37-35(45-34)18-9-21-41-37/h1-24,38-39,42H,(H,43,44)
InChIKeyUYKCOXSYYQRALO-UHFFFAOYSA-N
MW580.69 g/mol
LogP9.29
Rot. Bonds4

About 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

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 (PubChem CID 166801790) has the molecular formula C40H28N4O and a molecular weight of 580.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID166801790
Molecular FormulaC40H28N4O
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name9-[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
SMILESc1ccc(-c2cc(C3N=C(c4cccc5oc6cccnc6c45)NC(c4ccc5ccccc5c4)N3)cc3ccccc23)cc1
InChIInChI=1S/C40H28N4O/c1-2-11-26(12-3-1)33-24-30(23-28-14-6-7-15-31(28)33)39-42-38(29-20-19-25-10-4-5-13-27(25)22-29)43-40(44-39)32-16-8-17-34-36(32)37-35(45-34)18-9-21-41-37/h1-24,38-39,42H,(H,43,44)
InChIKeyUYKCOXSYYQRALO-UHFFFAOYSA-N
XLogP9.29
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 59.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-[6-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 163907995
6-chloro-2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801791
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
9-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 171736813
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
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
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
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
9-(6-chrysen-6-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 166801253
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-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
9-[4-[4-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 163628503

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(C3N=C(c4cccc5oc6cccnc6c45)NC(c4ccc5ccccc5c4)N3)cc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is UYKCOXSYYQRALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O/c1-2-11-26(12-3-1)33-24-30(23-28-14-6-7-15-31(28)33)39-42-38(29-20-19-25-10-4-5-13-27(25)22-29)43-40(44-39)32-16-8-17-34-36(32)37-35(45-34)18-9-21-41-37/h1-24,38-39,42H,(H,43,44).
What are the key properties of 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?
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 has a molecular weight of 580.69 g/mol, XLogP of 9.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166801790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).