9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C63H40N4S — CID 153459765

IUPAC9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5sc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C63H40N4S/c1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)53(38-45)47-31-34-50(55(40-47)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)46-32-37-58-54(39-46)51-35-36-57-59(60(51)68-58)52-28-16-17-29-56(52)67(57)48-26-14-5-15-27-48/h1-40H
InChIKeyLZCFHLOZXMXCLD-UHFFFAOYSA-N
MW885.11 g/mol
LogP17.01
Rot. Bonds8

About 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole

9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 153459765) has the molecular formula C63H40N4S and a molecular weight of 885.11 g/mol. Its IUPAC name is 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID153459765
Molecular FormulaC63H40N4S
Molecular Weight885.11 g/mol
Exact Mass884.30
IUPAC Name9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5sc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C63H40N4S/c1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)53(38-45)47-31-34-50(55(40-47)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)46-32-37-58-54(39-46)51-35-36-57-59(60(51)68-58)52-28-16-17-29-56(52)67(57)48-26-14-5-15-27-48/h1-40H
InChIKeyLZCFHLOZXMXCLD-UHFFFAOYSA-N
XLogP17.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.11
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]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

8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;10-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 165009261
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153460399
10-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159662638
8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylphenyl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 147664565
2-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153459818
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 129225757
2-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153459863
9-phenyl-2-[4-phenyl-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 155329903
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429
8-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153459919
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
9-[4-(2,5-diphenylphenyl)phenyl]-23-thia-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122466058

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 153459765) is 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5sc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is LZCFHLOZXMXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4S/c1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)53(38-45)47-31-34-50(55(40-47)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)46-32-37-58-54(39-46)51-35-36-57-59(60(51)68-58)52-28-16-17-29-56(52)67(57)48-26-14-5-15-27-48/h1-40H.
What are the key properties of 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 885.11 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 153459765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).