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

C44H26N4O — CID 166802109

IUPAC7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5cc(-c6cc7c8ccccc8ccc7c7ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-12-28(13-4-1)42-46-43(29-14-5-2-6-15-29)48-44(47-42)38-25-45-26-40-41(38)35-22-20-30(23-39(35)49-40)36-24-37-31-16-8-7-11-27(31)19-21-34(37)32-17-9-10-18-33(32)36/h1-26H
InChIKeyXNDNYAKOCCLGCX-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.29
Rot. Bonds4

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

7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 166802109) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID166802109
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5cc(-c6cc7c8ccccc8ccc7c7ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-12-28(13-4-1)42-46-43(29-14-5-2-6-15-29)48-44(47-42)38-25-45-26-40-41(38)35-22-20-30(23-39(35)49-40)36-24-37-31-16-8-7-11-27(31)19-21-34(37)32-17-9-10-18-33(32)36/h1-26H
InChIKeyXNDNYAKOCCLGCX-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'}

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168785628
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
6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288212
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785372
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
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
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-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797435
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166502522
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837

Frequently Asked Questions

What is the IUPAC name of 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 166802109) is 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5cc(-c6cc7c8ccccc8ccc7c7ccccc67)ccc5c34)n2)cc1.
What is the InChIKey of 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is XNDNYAKOCCLGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-3-12-28(13-4-1)42-46-43(29-14-5-2-6-15-29)48-44(47-42)38-25-45-26-40-41(38)35-22-20-30(23-39(35)49-40)36-24-37-31-16-8-7-11-27(31)19-21-34(37)32-17-9-10-18-33(32)36/h1-26H.
What are the key properties of 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine 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 7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 166802109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).