4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C43H27N3O2 — CID 170248755

IUPAC4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4cc5c6ccccc6oc5c5ccccc45)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H27N3O2/c1-3-13-26(14-4-1)41-44-42(27-15-5-2-6-16-27)46-43(45-41)35-23-28(24-38-39(35)32-20-10-12-22-37(32)47-38)33-25-34-30-18-9-11-21-36(30)48-40(34)31-19-8-7-17-29(31)33/h1-25,41H,(H,44,45,46)
InChIKeyYVAJWSMZLIWXHL-UHFFFAOYSA-N
MW617.71 g/mol
LogP10.80
Rot. Bonds4

About 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 170248755) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID170248755
Molecular FormulaC43H27N3O2
Molecular Weight617.71 g/mol
Exact Mass617.21
IUPAC Name4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4cc5c6ccccc6oc5c5ccccc45)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H27N3O2/c1-3-13-26(14-4-1)41-44-42(27-15-5-2-6-16-27)46-43(45-41)35-23-28(24-38-39(35)32-20-10-12-22-37(32)47-38)33-25-34-30-18-9-11-21-36(30)48-40(34)31-19-8-7-17-29(31)33/h1-25,41H,(H,44,45,46)
InChIKeyYVAJWSMZLIWXHL-UHFFFAOYSA-N
XLogP10.80
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.71
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 172508090
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
4-(3-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030334
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
CID 156550295
2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170294290
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 170248755) is 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cc(-c4cc5c6ccccc6oc5c5ccccc45)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is YVAJWSMZLIWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-3-13-26(14-4-1)41-44-42(27-15-5-2-6-16-27)46-43(45-41)35-23-28(24-38-39(35)32-20-10-12-22-37(32)47-38)33-25-34-30-18-9-11-21-36(30)48-40(34)31-19-8-7-17-29(31)33/h1-25,41H,(H,44,45,46).
What are the key properties of 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 617.71 g/mol, XLogP of 10.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170248755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).