3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

C57H42N4O — CID 167200362

IUPAC3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESC1=CC(C2N=C(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cccc5c34)N2)CC(c2ccccc2)=C1
InChIInChI=1S/C57H42N4O/c1-5-16-37(17-6-1)41-24-13-25-44(34-41)56-58-55(40-22-11-4-12-23-40)59-57(60-56)46-27-15-29-52-53(46)45-26-14-28-51(54(45)62-52)61-49-32-30-42(38-18-7-2-8-19-38)35-47(49)48-36-43(31-33-50(48)61)39-20-9-3-10-21-39/h1-33,35-36,44,56-57,60H,34H2,(H,58,59)
InChIKeyGLDIOUOFTIPRKE-UHFFFAOYSA-N
MW798.99 g/mol
LogP13.64
Rot. Bonds7

About 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 167200362) has the molecular formula C57H42N4O and a molecular weight of 798.99 g/mol. Its IUPAC name is 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID167200362
Molecular FormulaC57H42N4O
Molecular Weight798.99 g/mol
Exact Mass798.34
IUPAC Name3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESC1=CC(C2N=C(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cccc5c34)N2)CC(c2ccccc2)=C1
InChIInChI=1S/C57H42N4O/c1-5-16-37(17-6-1)41-24-13-25-44(34-41)56-58-55(40-22-11-4-12-23-40)59-57(60-56)46-27-15-29-52-53(46)45-26-14-28-51(54(45)62-52)61-49-32-30-42(38-18-7-2-8-19-38)35-47(49)48-36-43(31-33-50(48)61)39-20-9-3-10-21-39/h1-33,35-36,44,56-57,60H,34H2,(H,58,59)
InChIKeyGLDIOUOFTIPRKE-UHFFFAOYSA-N
XLogP13.64
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 513.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole with MolForge

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Related Compounds

9-[9-[1-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 166744433
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 166859603
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
CID 166670199
2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337573
9-[8-[9-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 166962160
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 167200362) is 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is C1=CC(C2N=C(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cccc5c34)N2)CC(c2ccccc2)=C1.
What is the InChIKey of 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is GLDIOUOFTIPRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4O/c1-5-16-37(17-6-1)41-24-13-25-44(34-41)56-58-55(40-22-11-4-12-23-40)59-57(60-56)46-27-15-29-52-53(46)45-26-14-28-51(54(45)62-52)61-49-32-30-42(38-18-7-2-8-19-38)35-47(49)48-36-43(31-33-50(48)61)39-20-9-3-10-21-39/h1-33,35-36,44,56-57,60H,34H2,(H,58,59).
What are the key properties of 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 798.99 g/mol, XLogP of 13.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 167200362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).