2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole

C92H54N8S4 — CID 161196244

IUPAC2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c(-c7nc8ccccc8s7)cccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4sc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1
InChIInChI=1S/C46H26N4S2.C46H28N4S2/c1-2-12-27(13-3-1)43-48-44(28-24-25-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)37(33)26-28)50-45(49-43)35-19-11-23-40-41(35)34-18-10-20-36(42(34)51-40)46-47-38-21-8-9-22-39(38)52-46;1-4-14-29(15-5-1)32-26-33(30-16-6-2-7-17-30)28-34(27-32)44-48-43(31-18-8-3-9-19-31)49-45(50-44)36-21-13-25-40-41(36)35-20-12-22-37(42(35)51-40)46-47-38-23-10-11-24-39(38)52-46/h1-26H;1-28H
InChIKeyUUJLMKPXCDCOER-UHFFFAOYSA-N
MW1399.77 g/mol
LogP25.83
Rot. Bonds10

About 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole

2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole (PubChem CID 161196244) has the molecular formula C92H54N8S4 and a molecular weight of 1399.77 g/mol. Its IUPAC name is 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole
PubChem CID161196244
Molecular FormulaC92H54N8S4
Molecular Weight1399.77 g/mol
Exact Mass1398.34
IUPAC Name2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c(-c7nc8ccccc8s7)cccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4sc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1
InChIInChI=1S/C46H26N4S2.C46H28N4S2/c1-2-12-27(13-3-1)43-48-44(28-24-25-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)37(33)26-28)50-45(49-43)35-19-11-23-40-41(35)34-18-10-20-36(42(34)51-40)46-47-38-21-8-9-22-39(38)52-46;1-4-14-29(15-5-1)32-26-33(30-16-6-2-7-17-30)28-34(27-32)44-48-43(31-18-8-3-9-19-31)49-45(50-44)36-21-13-25-40-41(36)35-20-12-22-37(42(35)51-40)46-47-38-23-10-11-24-39(38)52-46/h1-26H;1-28H
InChIKeyUUJLMKPXCDCOER-UHFFFAOYSA-N
XLogP25.83
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.77
LogP ≤ 525.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole 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

2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
CID 159333443
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148966592
2-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513241
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148624256
2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 149288675
2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzothiazole
CID 147693086
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 171411417
2-[3-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 163934353
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 171445753
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole
CID 160807672
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzothiazole
CID 153077679

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole (CID 161196244) is 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c(-c7nc8ccccc8s7)cccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4sc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole?
The InChIKey is UUJLMKPXCDCOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4S2.C46H28N4S2/c1-2-12-27(13-3-1)43-48-44(28-24-25-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)37(33)26-28)50-45(49-43)35-19-11-23-40-41(35)34-18-10-20-36(42(34)51-40)46-47-38-21-8-9-22-39(38)52-46;1-4-14-29(15-5-1)32-26-33(30-16-6-2-7-17-30)28-34(27-32)44-48-43(31-18-8-3-9-19-31)49-45(50-44)36-21-13-25-40-41(36)35-20-12-22-37(42(35)51-40)46-47-38-23-10-11-24-39(38)52-46/h1-26H;1-28H.
What are the key properties of 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole?
2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole has a molecular weight of 1399.77 g/mol, XLogP of 25.83, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 161196244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).