5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole

C55H38N6O — CID 145265264

IUPAC5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole
SMILESC1=CC2Oc3c(cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4c5c(n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c34)CCC=C5)C2C=C1
InChIInChI=1S/C55H38N6O/c1-5-18-35(19-6-1)45-34-46(57-52(56-45)36-20-7-2-8-21-36)44-33-43-41-28-14-16-31-48(41)62-51(43)50-49(44)42-29-13-15-30-47(42)61(50)40-27-17-26-39(32-40)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-14,16-29,31-34,41,48H,15,30H2
InChIKeyHEBXOSLLXBCIDB-UHFFFAOYSA-N
MW798.95 g/mol
LogP12.54
Rot. Bonds7

About 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole

5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole (PubChem CID 145265264) has the molecular formula C55H38N6O and a molecular weight of 798.95 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole
PubChem CID145265264
Molecular FormulaC55H38N6O
Molecular Weight798.95 g/mol
Exact Mass798.31
IUPAC Name5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole
SMILESC1=CC2Oc3c(cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4c5c(n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c34)CCC=C5)C2C=C1
InChIInChI=1S/C55H38N6O/c1-5-18-35(19-6-1)45-34-46(57-52(56-45)36-20-7-2-8-21-36)44-33-43-41-28-14-16-31-48(41)62-51(43)50-49(44)42-29-13-15-30-47(42)61(50)40-27-17-26-39(32-40)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-14,16-29,31-34,41,48H,15,30H2
InChIKeyHEBXOSLLXBCIDB-UHFFFAOYSA-N
XLogP12.54
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-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-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 145265210
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
CID 126656547
9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole
CID 146395689
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 170135931
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole
CID 170024945

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole (CID 145265264) is 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole is C1=CC2Oc3c(cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4c5c(n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c34)CCC=C5)C2C=C1.
What is the InChIKey of 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole?
The InChIKey is HEBXOSLLXBCIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N6O/c1-5-18-35(19-6-1)45-34-46(57-52(56-45)36-20-7-2-8-21-36)44-33-43-41-28-14-16-31-48(41)62-51(43)50-49(44)42-29-13-15-30-47(42)61(50)40-27-17-26-39(32-40)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-14,16-29,31-34,41,48H,15,30H2.
What are the key properties of 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole?
5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole has a molecular weight of 798.95 g/mol, XLogP of 12.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 145265264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).