7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline

C42H24N4O2 — CID 166502685

IUPAC7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4oc5cc6ccncc6cc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)32-19-18-30(29-15-9-17-35-37(29)31-14-7-8-16-34(31)47-35)39-38(32)33-22-28-24-43-21-20-27(28)23-36(33)48-39/h1-24H
InChIKeyKGWWXVOCPNIYHK-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

About 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline

7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166502685) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166502685
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4oc5cc6ccncc6cc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)32-19-18-30(29-15-9-17-35-37(29)31-14-7-8-16-34(31)47-35)39-38(32)33-22-28-24-43-21-20-27(28)23-36(33)48-39/h1-24H
InChIKeyKGWWXVOCPNIYHK-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline 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

7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
CID 166502646
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502343
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168785232
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166502717
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
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
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-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078325

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline (CID 166502685) is 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4oc5cc6ccncc6cc5c34)n2)cc1.
What is the InChIKey of 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is KGWWXVOCPNIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)32-19-18-30(29-15-9-17-35-37(29)31-14-7-8-16-34(31)47-35)39-38(32)33-22-28-24-43-21-20-27(28)23-36(33)48-39/h1-24H.
What are the key properties of 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline?
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166502685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).