6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline

C44H26N4O — CID 166502385

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5cc6ccccc6nc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-13-27(14-4-1)42-46-43(28-15-5-2-6-16-28)48-44(47-42)36-24-31(35-23-29-17-7-9-19-32(29)33-20-10-11-21-34(33)35)26-38-40(36)41-39(49-38)25-30-18-8-12-22-37(30)45-41/h1-26H
InChIKeyHNIJTUXQEZIKAP-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.29
Rot. Bonds4

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline (PubChem CID 166502385) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline
PubChem CID166502385
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5cc6ccccc6nc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-13-27(14-4-1)42-46-43(28-15-5-2-6-16-28)48-44(47-42)36-24-31(35-23-29-17-7-9-19-32(29)33-20-10-11-21-34(33)35)26-38-40(36)41-39(49-38)25-30-18-8-12-22-37(30)45-41/h1-26H
InChIKeyHNIJTUXQEZIKAP-UHFFFAOYSA-N
XLogP11.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 158931089
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 168785274
6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 166502391
6-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[3,2-b]quinoline
CID 166502658
2,4-di(phenanthren-9-yl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742560
2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 177130877
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 166502662
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
2-(9-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130834

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline (CID 166502385) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5cc6ccccc6nc5c34)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline?
The InChIKey is HNIJTUXQEZIKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-3-13-27(14-4-1)42-46-43(28-15-5-2-6-16-28)48-44(47-42)36-24-31(35-23-29-17-7-9-19-32(29)33-20-10-11-21-34(33)35)26-38-40(36)41-39(49-38)25-30-18-8-12-22-37(30)45-41/h1-26H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline has a molecular weight of 626.72 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenanthren-9-yl-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 166502385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).