2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine

C39H23N3O — CID 155474090

IUPAC2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
SMILESc1ccc2c(-c3nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)nc(-c4cccc5ccccc45)n3)cccc2c1
InChIInChI=1S/C39H23N3O/c1-3-13-29-24(9-1)11-7-16-32(29)38-40-37(41-39(42-38)33-17-8-12-25-10-2-4-14-30(25)33)27-20-19-26-22-34-31-15-5-6-18-35(31)43-36(34)23-28(26)21-27/h1-23H
InChIKeyUGFJHXVUQBKZNE-UHFFFAOYSA-N
MW549.63 g/mol
LogP10.23
Rot. Bonds3

About 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine (PubChem CID 155474090) has the molecular formula C39H23N3O and a molecular weight of 549.63 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
PubChem CID155474090
Molecular FormulaC39H23N3O
Molecular Weight549.63 g/mol
Exact Mass549.18
IUPAC Name2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
SMILESc1ccc2c(-c3nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)nc(-c4cccc5ccccc45)n3)cccc2c1
InChIInChI=1S/C39H23N3O/c1-3-13-29-24(9-1)11-7-16-32(29)38-40-37(41-39(42-38)33-17-8-12-25-10-2-4-14-30(25)33)27-20-19-26-22-34-31-15-5-6-18-35(31)43-36(34)23-28(26)21-27/h1-23H
InChIKeyUGFJHXVUQBKZNE-UHFFFAOYSA-N
XLogP10.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208532
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-3-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208468
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-naphthalen-2-yl-4-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 174316163
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198592
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 146663712

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine (CID 155474090) is 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine is c1ccc2c(-c3nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)nc(-c4cccc5ccccc45)n3)cccc2c1.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
The InChIKey is UGFJHXVUQBKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O/c1-3-13-29-24(9-1)11-7-16-32(29)38-40-37(41-39(42-38)33-17-8-12-25-10-2-4-14-30(25)33)27-20-19-26-22-34-31-15-5-6-18-35(31)43-36(34)23-28(26)21-27/h1-23H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine has a molecular weight of 549.63 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine is sourced from PubChem (CID 155474090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).