4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C43H29N3O — CID 170246997

IUPAC4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H29N3O/c1-3-12-31(13-4-1)41-44-42(32-14-5-2-6-15-32)46-43(45-41)37-26-25-35(40-39(37)36-17-9-10-18-38(36)47-40)30-22-19-29(20-23-30)34-24-21-28-11-7-8-16-33(28)27-34/h1-27,41H,(H,44,45,46)
InChIKeyRGDYEDZEKIZVCK-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.57
Rot. Bonds5

About 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 170246997) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID170246997
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H29N3O/c1-3-12-31(13-4-1)41-44-42(32-14-5-2-6-15-32)46-43(45-41)37-26-25-35(40-39(37)36-17-9-10-18-38(36)47-40)30-22-19-29(20-23-30)34-24-21-28-11-7-8-16-33(28)27-34/h1-27,41H,(H,44,45,46)
InChIKeyRGDYEDZEKIZVCK-UHFFFAOYSA-N
XLogP10.57
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801704
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-3-yl-2-phenanthren-9-yl-1,2-dihydro-1,3,5-triazine
CID 170290652
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137223943
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
7-methyl-6-(4-naphthalen-2-ylphenyl)-2-phenyl-4-(4-phenyldibenzofuran-1-yl)-1H-1,3,5-triazepine
CID 154934411

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 170246997) is 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is RGDYEDZEKIZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-12-31(13-4-1)41-44-42(32-14-5-2-6-15-32)46-43(45-41)37-26-25-35(40-39(37)36-17-9-10-18-38(36)47-40)30-22-19-29(20-23-30)34-24-21-28-11-7-8-16-33(28)27-34/h1-27,41H,(H,44,45,46).
What are the key properties of 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170246997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).