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

C40H24N4O — CID 168785628

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5cc(-c6ccc7ccc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-10-27(11-4-1)38-42-39(28-12-5-2-6-13-28)44-40(43-38)34-23-41-24-36-37(34)32-20-19-30(22-35(32)45-36)29-18-17-26-16-15-25-9-7-8-14-31(25)33(26)21-29/h1-24H
InChIKeyVQJZAYXXJGAOAI-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

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

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785628) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID168785628
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5cc(-c6ccc7ccc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-10-27(11-4-1)38-42-39(28-12-5-2-6-13-28)44-40(43-38)34-23-41-24-36-37(34)32-20-19-30(22-35(32)45-36)29-18-17-26-16-15-25-9-7-8-14-31(25)33(26)21-29/h1-24H
InChIKeyVQJZAYXXJGAOAI-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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 166802109
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 168785016
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
2-phenyl-4-(7-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314692
4-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785513
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine
CID 170016012
2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616809
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684
4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785129
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165084892

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine (CID 168785628) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5cc(-c6ccc7ccc8ccccc8c7c6)ccc5c34)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is VQJZAYXXJGAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-10-27(11-4-1)38-42-39(28-12-5-2-6-13-28)44-40(43-38)34-23-41-24-36-37(34)32-20-19-30(22-35(32)45-36)29-18-17-26-16-15-25-9-7-8-14-31(25)33(26)21-29/h1-24H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).