4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine

C43H27N3O2 — CID 170293740

IUPAC4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4oc5ccccc5c4c3)N=C(c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)N2)cc1
InChIInChI=1S/C43H27N3O2/c1-2-11-27(12-3-1)41-44-42(30-22-23-37-35(25-30)32-14-6-7-18-36(32)47-37)46-43(45-41)34-17-9-19-38-39(34)33-16-8-15-31(40(33)48-38)29-21-20-26-10-4-5-13-28(26)24-29/h1-25,42H,(H,44,45,46)
InChIKeyOTBMUFVHLMHNIL-UHFFFAOYSA-N
MW617.71 g/mol
LogP10.80
Rot. Bonds4

About 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine

4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 170293740) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID170293740
Molecular FormulaC43H27N3O2
Molecular Weight617.71 g/mol
Exact Mass617.21
IUPAC Name4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4oc5ccccc5c4c3)N=C(c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)N2)cc1
InChIInChI=1S/C43H27N3O2/c1-2-11-27(12-3-1)41-44-42(30-22-23-37-35(25-30)32-14-6-7-18-36(32)47-37)46-43(45-41)34-17-9-19-38-39(34)33-16-8-15-31(40(33)48-38)29-21-20-26-10-4-5-13-28(26)24-29/h1-25,42H,(H,44,45,46)
InChIKeyOTBMUFVHLMHNIL-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

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246119
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
9-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801462
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 170293740) is 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4oc5ccccc5c4c3)N=C(c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)N2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is OTBMUFVHLMHNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-2-11-27(12-3-1)41-44-42(30-22-23-37-35(25-30)32-14-6-7-18-36(32)47-37)46-43(45-41)34-17-9-19-38-39(34)33-16-8-15-31(40(33)48-38)29-21-20-26-10-4-5-13-28(26)24-29/h1-25,42H,(H,44,45,46).
What are the key properties of 4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-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-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170293740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).