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

C118H71N17S3 — CID 158189684

IUPAC12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)nc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)nc3)n2)cc1
InChIInChI=1S/C44H27N5S.2C37H22N6S/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)43-46-42(30-13-5-2-6-14-30)47-44(48-43)32-23-26-39(45-27-32)49-37-17-9-7-15-33(37)35-24-25-36-34-16-8-10-18-38(34)50-41(36)40(35)49;1-3-11-23(12-4-1)34-40-35(24-13-5-2-6-14-24)42-36(41-34)25-21-38-37(39-22-25)43-30-17-9-7-15-26(30)28-19-20-29-27-16-8-10-18-31(27)44-33(29)32(28)43;1-3-11-23(12-4-1)34-40-35(24-13-5-2-6-14-24)42-36(41-34)29-21-22-38-37(39-29)43-30-17-9-7-15-25(30)27-19-20-28-26-16-8-10-18-31(26)44-33(28)32(27)43/h1-27H;2*1-22H
InChIKeyFZOZYGUTPAHXAD-UHFFFAOYSA-N
MW1823.19 g/mol
LogP29.65
Rot. Bonds13

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

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 158189684) has the molecular formula C118H71N17S3 and a molecular weight of 1823.19 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID158189684
Molecular FormulaC118H71N17S3
Molecular Weight1823.19 g/mol
Exact Mass1821.52
IUPAC Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)nc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)nc3)n2)cc1
InChIInChI=1S/C44H27N5S.2C37H22N6S/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)43-46-42(30-13-5-2-6-14-30)47-44(48-43)32-23-26-39(45-27-32)49-37-17-9-7-15-33(37)35-24-25-36-34-16-8-10-18-38(34)50-41(36)40(35)49;1-3-11-23(12-4-1)34-40-35(24-13-5-2-6-14-24)42-36(41-34)25-21-38-37(39-22-25)43-30-17-9-7-15-26(30)28-19-20-29-27-16-8-10-18-31(27)44-33(29)32(28)43;1-3-11-23(12-4-1)34-40-35(24-13-5-2-6-14-24)42-36(41-34)29-21-22-38-37(39-29)43-30-17-9-7-15-25(30)27-19-20-28-26-16-8-10-18-31(26)44-33(28)32(27)43/h1-27H;2*1-22H
InChIKeyFZOZYGUTPAHXAD-UHFFFAOYSA-N
XLogP29.65
TPSA195.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.19
LogP ≤ 529.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[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-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole;12-[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 164953016
12-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156554624
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
2-cyclohexa-1,5-dien-1-yl-12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole
CID 146359317
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 158390546
3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170407101
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
CID 118133174
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 90085630
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141969
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580449
2-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;2-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole
CID 157388148

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole (CID 158189684) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)nc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)nc3)n2)cc1.
What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is FZOZYGUTPAHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5S.2C37H22N6S/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)43-46-42(30-13-5-2-6-14-30)47-44(48-43)32-23-26-39(45-27-32)49-37-17-9-7-15-33(37)35-24-25-36-34-16-8-10-18-38(34)50-41(36)40(35)49;1-3-11-23(12-4-1)34-40-35(24-13-5-2-6-14-24)42-36(41-34)25-21-38-37(39-22-25)43-30-17-9-7-15-26(30)28-19-20-29-27-16-8-10-18-31(27)44-33(29)32(28)43;1-3-11-23(12-4-1)34-40-35(24-13-5-2-6-14-24)42-36(41-34)29-21-22-38-37(39-29)43-30-17-9-7-15-25(30)27-19-20-28-26-16-8-10-18-31(26)44-33(28)32(27)43/h1-27H;2*1-22H.
What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole?
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 1823.19 g/mol, XLogP of 29.65, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 158189684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).