1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

C39H26N4O — CID 165010591

IUPAC1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c34)=N2)cc1
InChIInChI=1S/C39H26N4O/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-20-12-22-32-34(30)35-33(44-32)24-23-29-28-19-10-11-21-31(28)43(36(29)35)27-17-8-3-9-18-27/h1-24,37H,(H,40,41,42)
InChIKeyKRSJRJCXCUNHIP-UHFFFAOYSA-N
MW566.66 g/mol
LogP9.18
Rot. Bonds4

About 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 165010591) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID165010591
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c34)=N2)cc1
InChIInChI=1S/C39H26N4O/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-20-12-22-32-34(30)35-33(44-32)24-23-29-28-19-10-11-21-31(28)43(36(29)35)27-17-8-3-9-18-27/h1-24,37H,(H,40,41,42)
InChIKeyKRSJRJCXCUNHIP-UHFFFAOYSA-N
XLogP9.18
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
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
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
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
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 162363400
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 165010591) is 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c34)=N2)cc1.
What is the InChIKey of 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is KRSJRJCXCUNHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-20-12-22-32-34(30)35-33(44-32)24-23-29-28-19-10-11-21-31(28)43(36(29)35)27-17-8-3-9-18-27/h1-24,37H,(H,40,41,42).
What are the key properties of 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 566.66 g/mol, XLogP of 9.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 165010591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).