5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

C52H38N4OS — CID 145265018

IUPAC5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1C=CC(c2ccc(-c3nc(C4=CCCC=C4)nc(-n4c5ccccc5c5c(C6=CCC7Sc8ccccc8C7=C6)cc6c7ccccc7oc6c54)n3)cc2)=CC1
InChIInChI=1S/C52H38N4OS/c1-31-19-21-32(22-20-31)33-23-25-35(26-24-33)51-53-50(34-11-3-2-4-12-34)54-52(55-51)56-43-16-8-5-15-39(43)47-40(30-42-37-13-6-9-17-44(37)57-49(42)48(47)56)36-27-28-46-41(29-36)38-14-7-10-18-45(38)58-46/h3,5-19,21-27,29-31,46H,2,4,20,28H2,1H3
InChIKeyZQFUAJJOOGWRKV-UHFFFAOYSA-N
MW766.97 g/mol
LogP13.59
Rot. Bonds5

About 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 145265018) has the molecular formula C52H38N4OS and a molecular weight of 766.97 g/mol. Its IUPAC name is 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID145265018
Molecular FormulaC52H38N4OS
Molecular Weight766.97 g/mol
Exact Mass766.28
IUPAC Name5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1C=CC(c2ccc(-c3nc(C4=CCCC=C4)nc(-n4c5ccccc5c5c(C6=CCC7Sc8ccccc8C7=C6)cc6c7ccccc7oc6c54)n3)cc2)=CC1
InChIInChI=1S/C52H38N4OS/c1-31-19-21-32(22-20-31)33-23-25-35(26-24-33)51-53-50(34-11-3-2-4-12-34)54-52(55-51)56-43-16-8-5-15-39(43)47-40(30-42-37-13-6-9-17-44(37)57-49(42)48(47)56)36-27-28-46-41(29-36)38-14-7-10-18-45(38)58-46/h3,5-19,21-27,29-31,46H,2,4,20,28H2,1H3
InChIKeyZQFUAJJOOGWRKV-UHFFFAOYSA-N
XLogP13.59
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.97
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[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

5-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252535
3-[6-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155401241
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163688417
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 163922838
9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
CID 163996729
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]carbazole
CID 134252545
5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
CID 126656553
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene
CID 144705256
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069

Frequently Asked Questions

What is the IUPAC name of 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 145265018) is 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is CC1C=CC(c2ccc(-c3nc(C4=CCCC=C4)nc(-n4c5ccccc5c5c(C6=CCC7Sc8ccccc8C7=C6)cc6c7ccccc7oc6c54)n3)cc2)=CC1.
What is the InChIKey of 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ZQFUAJJOOGWRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4OS/c1-31-19-21-32(22-20-31)33-23-25-35(26-24-33)51-53-50(34-11-3-2-4-12-34)54-52(55-51)56-43-16-8-5-15-39(43)47-40(30-42-37-13-6-9-17-44(37)57-49(42)48(47)56)36-27-28-46-41(29-36)38-14-7-10-18-45(38)58-46/h3,5-19,21-27,29-31,46H,2,4,20,28H2,1H3.
What are the key properties of 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 766.97 g/mol, XLogP of 13.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4a-dihydrodibenzothiophen-2-yl)-12-[4-cyclohexa-1,5-dien-1-yl-6-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 145265018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).