2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine

C45H31N3O — CID 166961451

IUPAC2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5c34)=N2)cc1
InChIInChI=1S/C45H31N3O/c1-4-13-30(14-5-1)31-25-27-32(28-26-31)35-19-10-20-36(29-35)37-21-11-23-39-41(37)42-38(22-12-24-40(42)49-39)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29,43H,(H,46,47,48)
InChIKeyBPZBIDHNNHUDEV-UHFFFAOYSA-N
MW629.76 g/mol
LogP11.08
Rot. Bonds6

About 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine

2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 166961451) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID166961451
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5c34)=N2)cc1
InChIInChI=1S/C45H31N3O/c1-4-13-30(14-5-1)31-25-27-32(28-26-31)35-19-10-20-36(29-35)37-21-11-23-39-41(37)42-38(22-12-24-40(42)49-39)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29,43H,(H,46,47,48)
InChIKeyBPZBIDHNNHUDEV-UHFFFAOYSA-N
XLogP11.08
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (CID 166961451) is 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5c34)=N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is BPZBIDHNNHUDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-4-13-30(14-5-1)31-25-27-32(28-26-31)35-19-10-20-36(29-35)37-21-11-23-39-41(37)42-38(22-12-24-40(42)49-39)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29,43H,(H,46,47,48).
What are the key properties of 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 629.76 g/mol, XLogP of 11.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).