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

C192H120N16S4 — CID 164956624

IUPAC12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3-c3ccccc3)n2)cc1
InChIInChI=1S/2C51H32N4S.2C45H28N4S/c1-4-15-33(16-5-1)36-21-14-22-37(31-36)44-32-38(27-28-43(44)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35)55-45-25-12-10-23-39(45)41-29-30-42-40-24-11-13-26-46(40)56-48(42)47(41)55;1-4-16-33(17-5-1)37-22-10-11-23-38(37)44-32-36(28-29-43(44)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35)55-45-26-14-12-24-39(45)41-30-31-42-40-25-13-15-27-46(40)56-48(42)47(41)55;1-4-15-29(16-5-1)40-36(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)23-14-25-38(40)49-37-24-12-10-21-32(37)34-27-28-35-33-22-11-13-26-39(33)50-42(35)41(34)49;1-4-14-29(15-5-1)33-25-24-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)28-39(33)49-38-22-12-10-20-34(38)36-26-27-37-35-21-11-13-23-40(35)50-42(37)41(36)49/h2*1-32H;2*1-28H
InChIKeyBGLATHRTCJZPRX-UHFFFAOYSA-N
MW2779.45 g/mol
LogP51.35
Rot. Bonds22

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

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 164956624) has the molecular formula C192H120N16S4 and a molecular weight of 2779.45 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID164956624
Molecular FormulaC192H120N16S4
Molecular Weight2779.45 g/mol
Exact Mass2776.88
IUPAC Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3-c3ccccc3)n2)cc1
InChIInChI=1S/2C51H32N4S.2C45H28N4S/c1-4-15-33(16-5-1)36-21-14-22-37(31-36)44-32-38(27-28-43(44)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35)55-45-25-12-10-23-39(45)41-29-30-42-40-24-11-13-26-46(40)56-48(42)47(41)55;1-4-16-33(17-5-1)37-22-10-11-23-38(37)44-32-36(28-29-43(44)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35)55-45-26-14-12-24-39(45)41-30-31-42-40-25-13-15-27-46(40)56-48(42)47(41)55;1-4-15-29(16-5-1)40-36(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)23-14-25-38(40)49-37-24-12-10-21-32(37)34-27-28-35-33-22-11-13-26-39(33)50-42(35)41(34)49;1-4-14-29(15-5-1)33-25-24-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)28-39(33)49-38-22-12-10-20-34(38)36-26-27-37-35-21-11-13-23-40(35)50-42(37)41(36)49/h2*1-32H;2*1-28H
InChIKeyBGLATHRTCJZPRX-UHFFFAOYSA-N
XLogP51.35
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002779.45
LogP ≤ 551.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole (CID 164956624) is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3-c3ccccc3)n2)cc1.
What is the InChIKey of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is BGLATHRTCJZPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4S.2C45H28N4S/c1-4-15-33(16-5-1)36-21-14-22-37(31-36)44-32-38(27-28-43(44)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35)55-45-25-12-10-23-39(45)41-29-30-42-40-24-11-13-26-46(40)56-48(42)47(41)55;1-4-16-33(17-5-1)37-22-10-11-23-38(37)44-32-36(28-29-43(44)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35)55-45-26-14-12-24-39(45)41-30-31-42-40-25-13-15-27-46(40)56-48(42)47(41)55;1-4-15-29(16-5-1)40-36(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)23-14-25-38(40)49-37-24-12-10-21-32(37)34-27-28-35-33-22-11-13-26-39(33)50-42(35)41(34)49;1-4-14-29(15-5-1)33-25-24-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)28-39(33)49-38-22-12-10-20-34(38)36-26-27-37-35-21-11-13-23-40(35)50-42(37)41(36)49/h2*1-32H;2*1-28H.
What are the key properties of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2779.45 g/mol, XLogP of 51.35, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 164956624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).