5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole

C46H26N2S5 — CID 59464643

IUPAC5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole
SMILESc1ccc2cc3cc(-c4cnc(-c5ccc(-c6ccc(-c7ccc(-c8ncc(-c9ccc%10cc%11ccccc%11cc%10c9)s8)s7)s6)s5)s4)ccc3cc2c1
InChIInChI=1S/C46H26N2S5/c1-3-7-29-21-35-23-33(11-9-31(35)19-27(29)5-1)43-25-47-45(52-43)41-17-15-39(50-41)37-13-14-38(49-37)40-16-18-42(51-40)46-48-26-44(53-46)34-12-10-32-20-28-6-2-4-8-30(28)22-36(32)24-34/h1-26H
InChIKeyWCXDQIXLNPFKRL-UHFFFAOYSA-N
MW767.06 g/mol
LogP15.40
Rot. Bonds6

About 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole

5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole (PubChem CID 59464643) has the molecular formula C46H26N2S5 and a molecular weight of 767.06 g/mol. Its IUPAC name is 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole
PubChem CID59464643
Molecular FormulaC46H26N2S5
Molecular Weight767.06 g/mol
Exact Mass766.07
IUPAC Name5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole
SMILESc1ccc2cc3cc(-c4cnc(-c5ccc(-c6ccc(-c7ccc(-c8ncc(-c9ccc%10cc%11ccccc%11cc%10c9)s8)s7)s6)s5)s4)ccc3cc2c1
InChIInChI=1S/C46H26N2S5/c1-3-7-29-21-35-23-33(11-9-31(35)19-27(29)5-1)43-25-47-45(52-43)41-17-15-39(50-41)37-13-14-38(49-37)40-16-18-42(51-40)46-48-26-44(53-46)34-12-10-32-20-28-6-2-4-8-30(28)22-36(32)24-34/h1-26H
InChIKeyWCXDQIXLNPFKRL-UHFFFAOYSA-N
XLogP15.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.06
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
The IUPAC name of 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole (CID 59464643) is 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole is c1ccc2cc3cc(-c4cnc(-c5ccc(-c6ccc(-c7ccc(-c8ncc(-c9ccc%10cc%11ccccc%11cc%10c9)s8)s7)s6)s5)s4)ccc3cc2c1.
What is the InChIKey of 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
The InChIKey is WCXDQIXLNPFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2S5/c1-3-7-29-21-35-23-33(11-9-31(35)19-27(29)5-1)43-25-47-45(52-43)41-17-15-39(50-41)37-13-14-38(49-37)40-16-18-42(51-40)46-48-26-44(53-46)34-12-10-32-20-28-6-2-4-8-30(28)22-36(32)24-34/h1-26H.
What are the key properties of 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole has a molecular weight of 767.06 g/mol, XLogP of 15.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 59464643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).