5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole

C51H33N5O — CID 167200347

IUPAC5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c34)=N2)cc1
InChIInChI=1S/C51H33N5O/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-15-29-46-47(38)37-24-14-28-43(48(37)57-46)56-42-27-13-11-23-36(42)40-30-39-35-22-10-12-26-41(35)55(44(39)31-45(40)56)34-20-8-3-9-21-34/h1-31,49H,(H,52,53,54)
InChIKeySGYMTVZNFFVGQW-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.28
Rot. Bonds5

About 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole

5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 167200347) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID167200347
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c34)=N2)cc1
InChIInChI=1S/C51H33N5O/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-15-29-46-47(38)37-24-14-28-43(48(37)57-46)56-42-27-13-11-23-36(42)40-30-39-35-22-10-12-26-41(35)55(44(39)31-45(40)56)34-20-8-3-9-21-34/h1-31,49H,(H,52,53,54)
InChIKeySGYMTVZNFFVGQW-UHFFFAOYSA-N
XLogP12.28
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
7-phenyl-1-[4-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 148620176
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
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
2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 165001762
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278

Frequently Asked Questions

What is the IUPAC name of 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole (CID 167200347) is 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c34)=N2)cc1.
What is the InChIKey of 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is SGYMTVZNFFVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-15-29-46-47(38)37-24-14-28-43(48(37)57-46)56-42-27-13-11-23-36(42)40-30-39-35-22-10-12-26-41(35)55(44(39)31-45(40)56)34-20-8-3-9-21-34/h1-31,49H,(H,52,53,54).
What are the key properties of 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 731.86 g/mol, XLogP of 12.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 167200347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).