4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C43H31N3O — CID 134198760

IUPAC4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc(-c7cccc8ccccc78)cc6c45)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H31N3O/c1-3-13-29(14-4-1)41-44-42(30-15-5-2-6-16-30)46-43(45-41)33-19-9-18-31(26-33)36-22-11-23-39-40(36)37-27-32(24-25-38(37)47-39)35-21-10-17-28-12-7-8-20-34(28)35/h1-27,41,43,45H,(H,44,46)
InChIKeyABMYZUPKXGNARN-UHFFFAOYSA-N
MW605.74 g/mol
LogP10.41
Rot. Bonds5

About 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 134198760) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID134198760
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC Name4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc(-c7cccc8ccccc78)cc6c45)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H31N3O/c1-3-13-29(14-4-1)41-44-42(30-15-5-2-6-16-30)46-43(45-41)33-19-9-18-31(26-33)36-22-11-23-39-40(36)37-27-32(24-25-38(37)47-39)35-21-10-17-28-12-7-8-20-34(28)35/h1-27,41,43,45H,(H,44,46)
InChIKeyABMYZUPKXGNARN-UHFFFAOYSA-N
XLogP10.41
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 510.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
2-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
2-(8-dibenzofuran-3-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163631665
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029334
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 134198760) is 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc(-c7cccc8ccccc78)cc6c45)c3)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is ABMYZUPKXGNARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c1-3-13-29(14-4-1)41-44-42(30-15-5-2-6-16-30)46-43(45-41)33-19-9-18-31(26-33)36-22-11-23-39-40(36)37-27-32(24-25-38(37)47-39)35-21-10-17-28-12-7-8-20-34(28)35/h1-27,41,43,45H,(H,44,46).
What are the key properties of 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 605.74 g/mol, XLogP of 10.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 134198760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).