2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole

C90H92N10S12 — CID 163489661

IUPAC2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole
SMILESCCCCCCc1nc2c(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8cc9cccnc9c9ncccc89)c8nc(CCCCCC)sc78)c7nc(CCCCCC)sc67)c6nc(CCCCCC)sc56)c5nc(CCCCCC)sc45)c4nc(CCCCCC)sc34)sc(-c3cc4cccnc4c4ncccc34)c2s1
InChIInChI=1S/C90H92N10S12/c1-7-13-19-25-39-57-95-67-73(55-49-51-35-31-45-91-63(51)65-53(55)37-33-47-93-65)107-86(76(67)102-57)82-69-78(104-59(97-69)41-27-21-15-9-3)88(109-82)84-71-80(106-61(99-71)43-29-23-17-11-5)90(111-84)85-72-79(105-62(100-72)44-30-24-18-12-6)89(112-85)83-70-77(103-60(98-70)42-28-22-16-10-4)87(110-83)81-68-75(101-58(96-68)40-26-20-14-8-2)74(108-81)56-50-52-36-32-46-92-64(52)66-54(56)38-34-48-94-66/h31-38,45-50H,7-30,39-44H2,1-6H3
InChIKeyCLMPVUVFTMNMQU-UHFFFAOYSA-N
MW1698.60 g/mol
LogP32.31
Rot. Bonds37

About 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole

2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole (PubChem CID 163489661) has the molecular formula C90H92N10S12 and a molecular weight of 1698.60 g/mol. Its IUPAC name is 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole
PubChem CID163489661
Molecular FormulaC90H92N10S12
Molecular Weight1698.60 g/mol
Exact Mass1696.42
IUPAC Name2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole
SMILESCCCCCCc1nc2c(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8cc9cccnc9c9ncccc89)c8nc(CCCCCC)sc78)c7nc(CCCCCC)sc67)c6nc(CCCCCC)sc56)c5nc(CCCCCC)sc45)c4nc(CCCCCC)sc34)sc(-c3cc4cccnc4c4ncccc34)c2s1
InChIInChI=1S/C90H92N10S12/c1-7-13-19-25-39-57-95-67-73(55-49-51-35-31-45-91-63(51)65-53(55)37-33-47-93-65)107-86(76(67)102-57)82-69-78(104-59(97-69)41-27-21-15-9-3)88(109-82)84-71-80(106-61(99-71)43-29-23-17-11-5)90(111-84)85-72-79(105-62(100-72)44-30-24-18-12-6)89(112-85)83-70-77(103-60(98-70)42-28-22-16-10-4)87(110-83)81-68-75(101-58(96-68)40-26-20-14-8-2)74(108-81)56-50-52-36-32-46-92-64(52)66-54(56)38-34-48-94-66/h31-38,45-50H,7-30,39-44H2,1-6H3
InChIKeyCLMPVUVFTMNMQU-UHFFFAOYSA-N
XLogP32.31
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.60
LogP ≤ 532.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole 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-heptyl-1,10-phenanthroline
CID 150280165
2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium
CID 20633244
1-dodecylisoquinoline;hydroiodide
CID 173144441
6-butylquinolin-8-ol
CID 130033187
11,12-bis(decoxymethyl)quinoxalino[2,3-f][1,10]phenanthroline
CID 102391462
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
4,6-dibromo-2-heptadecylselenopheno[3,4-d][1,3]thiazole
CID 142739376
5-undecylquinolin-8-ol
CID 10780517
2-[3,4-dibutyl-5-[5-[3,4-dibutyl-5-(1,10-phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,10-phenanthroline
CID 11520712
6-chloro-N-hexylquinolin-8-amine
CID 43672362
4,7-di(tridecyl)-1,10-phenanthroline
CID 5194028
4,7-didodecyl-1,10-phenanthroline
CID 10098057

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole?
The IUPAC name of 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole (CID 163489661) is 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole?
The canonical SMILES for 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole is CCCCCCc1nc2c(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8cc9cccnc9c9ncccc89)c8nc(CCCCCC)sc78)c7nc(CCCCCC)sc67)c6nc(CCCCCC)sc56)c5nc(CCCCCC)sc45)c4nc(CCCCCC)sc34)sc(-c3cc4cccnc4c4ncccc34)c2s1.
What is the InChIKey of 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole?
The InChIKey is CLMPVUVFTMNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H92N10S12/c1-7-13-19-25-39-57-95-67-73(55-49-51-35-31-45-91-63(51)65-53(55)37-33-47-93-65)107-86(76(67)102-57)82-69-78(104-59(97-69)41-27-21-15-9-3)88(109-82)84-71-80(106-61(99-71)43-29-23-17-11-5)90(111-84)85-72-79(105-62(100-72)44-30-24-18-12-6)89(112-85)83-70-77(103-60(98-70)42-28-22-16-10-4)87(110-83)81-68-75(101-58(96-68)40-26-20-14-8-2)74(108-81)56-50-52-36-32-46-92-64(52)66-54(56)38-34-48-94-66/h31-38,45-50H,7-30,39-44H2,1-6H3.
What are the key properties of 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole?
2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole has a molecular weight of 1698.60 g/mol, XLogP of 32.31, 37 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-[2-hexyl-4-[2-hexyl-4-[2-hexyl-4-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]thieno[3,4-d][1,3]thiazol-6-yl]-6-[2-hexyl-6-[2-hexyl-6-(1,10-phenanthrolin-5-yl)thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazol-4-yl]thieno[3,4-d][1,3]thiazole is sourced from PubChem (CID 163489661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).