2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C64H40N6S2 — CID 134595214

IUPAC2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccccc6)c6sc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cc6c(-c6ccccc6)c5s4)cc3)n2)cc1
InChIInChI=1S/C64H40N6S2/c1-7-19-43(20-8-1)55-51-39-53(41-31-35-49(36-32-41)63-67-59(45-23-11-3-12-24-45)65-60(68-63)46-25-13-4-14-26-46)72-58(51)56(44-21-9-2-10-22-44)52-40-54(71-57(52)55)42-33-37-50(38-34-42)64-69-61(47-27-15-5-16-28-47)66-62(70-64)48-29-17-6-18-30-48/h1-40H
InChIKeyZSGSYJIBLFWCLK-UHFFFAOYSA-N
MW957.20 g/mol
LogP17.16
Rot. Bonds10

About 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 134595214) has the molecular formula C64H40N6S2 and a molecular weight of 957.20 g/mol. Its IUPAC name is 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID134595214
Molecular FormulaC64H40N6S2
Molecular Weight957.20 g/mol
Exact Mass956.28
IUPAC Name2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccccc6)c6sc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cc6c(-c6ccccc6)c5s4)cc3)n2)cc1
InChIInChI=1S/C64H40N6S2/c1-7-19-43(20-8-1)55-51-39-53(41-31-35-49(36-32-41)63-67-59(45-23-11-3-12-24-45)65-60(68-63)46-25-13-4-14-26-46)72-58(51)56(44-21-9-2-10-22-44)52-40-54(71-57(52)55)42-33-37-50(38-34-42)64-69-61(47-27-15-5-16-28-47)66-62(70-64)48-29-17-6-18-30-48/h1-40H
InChIKeyZSGSYJIBLFWCLK-UHFFFAOYSA-N
XLogP17.16
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.20
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine 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

4-[3-(4,8-diphenylthieno[2,3-f][1]benzothiol-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 134587733
2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]dibenzothiophene 5,5-dioxide
CID 134595238
2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
CID 102170706
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-[4-[4,8-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-f][1]benzothiol-6-yl]phenyl]-1-phenylbenzimidazole
CID 134595234
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 146183675
2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186744
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2,6-bis(2-benzothiophen-1-yl)-4,8-diphenylthieno[2,3-f][1]benzothiole
CID 134595225
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 134595214) is 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccccc6)c6sc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cc6c(-c6ccccc6)c5s4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZSGSYJIBLFWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6S2/c1-7-19-43(20-8-1)55-51-39-53(41-31-35-49(36-32-41)63-67-59(45-23-11-3-12-24-45)65-60(68-63)46-25-13-4-14-26-46)72-58(51)56(44-21-9-2-10-22-44)52-40-54(71-57(52)55)42-33-37-50(38-34-42)64-69-61(47-27-15-5-16-28-47)66-62(70-64)48-29-17-6-18-30-48/h1-40H.
What are the key properties of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 957.20 g/mol, XLogP of 17.16, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134595214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).