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

C40H24N4O — CID 168785274

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5cnccc5c34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)38-42-39(26-13-5-2-6-14-26)44-40(43-38)34-22-28(23-35-37(34)32-19-20-41-24-36(32)45-35)33-21-27-15-7-8-16-29(27)30-17-9-10-18-31(30)33/h1-24H
InChIKeyVBVOYUZFSPGNQI-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785274) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID168785274
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5cnccc5c34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)38-42-39(26-13-5-2-6-14-26)44-40(43-38)34-22-28(23-35-37(34)32-19-20-41-24-36(32)45-35)33-21-27-15-7-8-16-29(27)30-17-9-10-18-31(30)33/h1-24H
InChIKeyVBVOYUZFSPGNQI-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 158931089
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 163916275
2,4-di(phenanthren-9-yl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742560
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 168785581
7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785019
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline
CID 166502385
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
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
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine (CID 168785274) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5cnccc5c34)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is VBVOYUZFSPGNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-11-25(12-4-1)38-42-39(26-13-5-2-6-14-26)44-40(43-38)34-22-28(23-35-37(34)32-19-20-41-24-36(32)45-35)33-21-27-15-7-8-16-29(27)30-17-9-10-18-31(30)33/h1-24H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).