2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

C47H25N3O3 — CID 176775447

IUPAC2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc2c(c1)cc(-c1nc(-c3cccc4oc5ccccc5c34)nc(-c3cc4ccccc4c4oc5ccccc5c34)n1)c1c3ccccc3oc21
InChIInChI=1S/C47H25N3O3/c1-3-14-28-26(12-1)24-34(41-31-17-6-9-21-37(31)52-43(28)41)46-48-45(33-19-11-23-39-40(33)30-16-5-8-20-36(30)51-39)49-47(50-46)35-25-27-13-2-4-15-29(27)44-42(35)32-18-7-10-22-38(32)53-44/h1-25H
InChIKeyVMNLEOVUQUOWJO-UHFFFAOYSA-N
MW679.74 g/mol
LogP12.88
Rot. Bonds3

About 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (PubChem CID 176775447) has the molecular formula C47H25N3O3 and a molecular weight of 679.74 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
PubChem CID176775447
Molecular FormulaC47H25N3O3
Molecular Weight679.74 g/mol
Exact Mass679.19
IUPAC Name2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc2c(c1)cc(-c1nc(-c3cccc4oc5ccccc5c34)nc(-c3cc4ccccc4c4oc5ccccc5c34)n1)c1c3ccccc3oc21
InChIInChI=1S/C47H25N3O3/c1-3-14-28-26(12-1)24-34(41-31-17-6-9-21-37(31)52-43(28)41)46-48-45(33-19-11-23-39-40(33)30-16-5-8-20-36(30)51-39)49-47(50-46)35-25-27-13-2-4-15-29(27)44-42(35)32-18-7-10-22-38(32)53-44/h1-25H
InChIKeyVMNLEOVUQUOWJO-UHFFFAOYSA-N
XLogP12.88
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.74
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 176775487
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775561
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166739192
2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 169278676
2-dibenzofuran-1-yl-4-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853965
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 167181780
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (CID 176775447) is 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is c1ccc2c(c1)cc(-c1nc(-c3cccc4oc5ccccc5c34)nc(-c3cc4ccccc4c4oc5ccccc5c34)n1)c1c3ccccc3oc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The InChIKey is VMNLEOVUQUOWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H25N3O3/c1-3-14-28-26(12-1)24-34(41-31-17-6-9-21-37(31)52-43(28)41)46-48-45(33-19-11-23-39-40(33)30-16-5-8-20-36(30)51-39)49-47(50-46)35-25-27-13-2-4-15-29(27)44-42(35)32-18-7-10-22-38(32)53-44/h1-25H.
What are the key properties of 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine has a molecular weight of 679.74 g/mol, XLogP of 12.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is sourced from PubChem (CID 176775447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).