6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline

C40H28N4O — CID 166800197

IUPAC6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6cc7cnccc7cc6c45)c4ccccc34)N2)cc1
InChIInChI=1S/C40H28N4O/c1-3-10-25(11-4-1)38-42-39(26-12-5-2-6-13-26)44-40(43-38)33-19-18-31(29-14-7-8-15-30(29)33)32-16-9-17-35-37(32)34-22-27-20-21-41-24-28(27)23-36(34)45-35/h1-24,38,40,43H,(H,42,44)
InChIKeyVBIAIFMVYJVSHG-UHFFFAOYSA-N
MW580.69 g/mol
LogP9.29
Rot. Bonds4

About 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline

6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline (PubChem CID 166800197) has the molecular formula C40H28N4O and a molecular weight of 580.69 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
PubChem CID166800197
Molecular FormulaC40H28N4O
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6cc7cnccc7cc6c45)c4ccccc34)N2)cc1
InChIInChI=1S/C40H28N4O/c1-3-10-25(11-4-1)38-42-39(26-12-5-2-6-13-26)44-40(43-38)33-19-18-31(29-14-7-8-15-30(29)33)32-16-9-17-35-37(32)34-22-27-20-21-41-24-28(27)23-36(34)45-35/h1-24,38,40,43H,(H,42,44)
InChIKeyVBIAIFMVYJVSHG-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 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166800247
10-[2-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 166800145
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-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801777
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429
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-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801692
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
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline?
The IUPAC name of 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline (CID 166800197) is 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6cc7cnccc7cc6c45)c4ccccc34)N2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline?
The InChIKey is VBIAIFMVYJVSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O/c1-3-10-25(11-4-1)38-42-39(26-12-5-2-6-13-26)44-40(43-38)33-19-18-31(29-14-7-8-15-30(29)33)32-16-9-17-35-37(32)34-22-27-20-21-41-24-28(27)23-36(34)45-35/h1-24,38,40,43H,(H,42,44).
What are the key properties of 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline?
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline 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 6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline is sourced from PubChem (CID 166800197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).