4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine

C44H28N4O — CID 166801524

IUPAC4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2N=C(c3cncc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C44H28N4O/c1-2-11-28(12-3-1)42-46-43(32-19-18-27-10-4-5-13-29(27)22-32)48-44(47-42)38-25-45-26-40-41(38)36-21-20-31(24-39(36)49-40)37-23-30-14-6-7-15-33(30)34-16-8-9-17-35(34)37/h1-26,42H,(H,46,47,48)
InChIKeyJZSVAVJHCPQKBG-UHFFFAOYSA-N
MW628.74 g/mol
LogP10.60
Rot. Bonds4

About 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine

4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 166801524) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID166801524
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2N=C(c3cncc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C44H28N4O/c1-2-11-28(12-3-1)42-46-43(32-19-18-27-10-4-5-13-29(27)22-32)48-44(47-42)38-25-45-26-40-41(38)36-21-20-31(24-39(36)49-40)37-23-30-14-6-7-15-33(30)34-16-8-9-17-35(34)37/h1-26,42H,(H,46,47,48)
InChIKeyJZSVAVJHCPQKBG-UHFFFAOYSA-N
XLogP10.60
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine 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

6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
4-naphthalen-2-yl-6-phenanthren-2-yl-2-[4-(7-phenanthren-9-yldibenzofuran-1-yl)naphthalen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167029446
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008301
8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801704
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170294237
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801570
4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030408
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 163854354

Frequently Asked Questions

What is the IUPAC name of 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine (CID 166801524) is 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine is c1ccc(C2N=C(c3cncc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)N=C(c3ccc4ccccc4c3)N2)cc1.
What is the InChIKey of 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is JZSVAVJHCPQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-2-11-28(12-3-1)42-46-43(32-19-18-27-10-4-5-13-29(27)22-32)48-44(47-42)38-25-45-26-40-41(38)36-21-20-31(24-39(36)49-40)37-23-30-14-6-7-15-33(30)34-16-8-9-17-35(34)37/h1-26,42H,(H,46,47,48).
What are the key properties of 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 628.74 g/mol, XLogP of 10.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 166801524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).