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

C51H34N4O — CID 167200274

IUPAC9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cc(-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)ccc5c34)=N2)cc1
InChIInChI=1S/C51H34N4O/c1-5-14-33(15-6-1)37-24-27-40-41-28-25-38(34-16-7-2-8-17-34)31-45(41)55(44(40)30-37)39-26-29-42-47(32-39)56-46-23-13-22-43(48(42)46)51-53-49(35-18-9-3-10-19-35)52-50(54-51)36-20-11-4-12-21-36/h1-32,49H,(H,52,53,54)
InChIKeyXFJUVRFKNSZPHW-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.51
Rot. Bonds6

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

9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole (PubChem CID 167200274) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
PubChem CID167200274
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cc(-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)ccc5c34)=N2)cc1
InChIInChI=1S/C51H34N4O/c1-5-14-33(15-6-1)37-24-27-40-41-28-25-38(34-16-7-2-8-17-34)31-45(41)55(44(40)30-37)39-26-29-42-47(32-39)56-46-23-13-22-43(48(42)46)51-53-49(35-18-9-3-10-19-35)52-50(54-51)36-20-11-4-12-21-36/h1-32,49H,(H,52,53,54)
InChIKeyXFJUVRFKNSZPHW-UHFFFAOYSA-N
XLogP12.51
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole with MolForge

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Related Compounds

9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
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-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 172508108
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole (CID 167200274) is 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cc(-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)ccc5c34)=N2)cc1.
What is the InChIKey of 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
The InChIKey is XFJUVRFKNSZPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-14-33(15-6-1)37-24-27-40-41-28-25-38(34-16-7-2-8-17-34)31-45(41)55(44(40)30-37)39-26-29-42-47(32-39)56-46-23-13-22-43(48(42)46)51-53-49(35-18-9-3-10-19-35)52-50(54-51)36-20-11-4-12-21-36/h1-32,49H,(H,52,53,54).
What are the key properties of 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole has a molecular weight of 718.86 g/mol, XLogP of 12.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole is sourced from PubChem (CID 167200274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).