12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole

C135H84N12S3 — CID 158122781

IUPAC12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6sc7ccccc7c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)c6sc7ccccc7c6c54)cc3)n2)cc1
InChIInChI=1S/3C45H28N4S/c1-4-14-29(15-5-1)36-28-37-34-20-10-12-22-38(34)49(41(37)40-35-21-11-13-23-39(35)50-42(36)40)33-26-24-32(25-27-33)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31;1-4-14-29(15-5-1)36-28-39-41(35-21-11-13-23-38(35)50-39)42-40(36)34-20-10-12-22-37(34)49(42)33-26-24-32(25-27-33)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31;1-4-12-29(13-5-1)33-22-25-35-36-26-27-40-41(37-18-10-11-19-39(37)50-40)42(36)49(38(35)28-33)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h3*1-28H
InChIKeyFRUMIHIGENWWTL-UHFFFAOYSA-N
MW1970.44 g/mol
LogP36.01
Rot. Bonds15

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 158122781) has the molecular formula C135H84N12S3 and a molecular weight of 1970.44 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole
PubChem CID158122781
Molecular FormulaC135H84N12S3
Molecular Weight1970.44 g/mol
Exact Mass1968.61
IUPAC Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6sc7ccccc7c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)c6sc7ccccc7c6c54)cc3)n2)cc1
InChIInChI=1S/3C45H28N4S/c1-4-14-29(15-5-1)36-28-37-34-20-10-12-22-38(34)49(41(37)40-35-21-11-13-23-39(35)50-42(36)40)33-26-24-32(25-27-33)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31;1-4-14-29(15-5-1)36-28-39-41(35-21-11-13-23-38(35)50-39)42-40(36)34-20-10-12-22-37(34)49(42)33-26-24-32(25-27-33)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31;1-4-12-29(13-5-1)33-22-25-35-36-26-27-40-41(37-18-10-11-19-39(37)50-40)42(36)49(38(35)28-33)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h3*1-28H
InChIKeyFRUMIHIGENWWTL-UHFFFAOYSA-N
XLogP36.01
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.44
LogP ≤ 536.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[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

9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 160673598
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzothiol-10-yl]-[1]benzothiolo[3,2-a]carbazole
CID 154968575
9-carbazol-9-yl-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158448773
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 147976679
12-phenyl-7-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530331
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580449
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
12-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 154946600
1-dibenzothiophen-1-yl-9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705068
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 164960183
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 158900812

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole (CID 158122781) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole is c1ccc(-c2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6sc7ccccc7c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)c6sc7ccccc7c6c54)cc3)n2)cc1.
What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is FRUMIHIGENWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H28N4S/c1-4-14-29(15-5-1)36-28-37-34-20-10-12-22-38(34)49(41(37)40-35-21-11-13-23-39(35)50-42(36)40)33-26-24-32(25-27-33)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31;1-4-14-29(15-5-1)36-28-39-41(35-21-11-13-23-38(35)50-39)42-40(36)34-20-10-12-22-37(34)49(42)33-26-24-32(25-27-33)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31;1-4-12-29(13-5-1)33-22-25-35-36-26-27-40-41(37-18-10-11-19-39(37)50-40)42(36)49(38(35)28-33)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h3*1-28H.
What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole?
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 1970.44 g/mol, XLogP of 36.01, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 158122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).