2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene

C36H22S2 — CID 22245422

IUPAC2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene
SMILESc1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc7cc8ccccc8cc7c6)s5)s4)ccc3cc2c1
InChIInChI=1S/C36H22S2/c1-3-7-25-19-31-21-29(11-9-27(31)17-23(25)5-1)33-13-15-35(37-33)36-16-14-34(38-36)30-12-10-28-18-24-6-2-4-8-26(24)20-32(28)22-30/h1-22H
InChIKeyQGIZDKNMUPVDJA-UHFFFAOYSA-N
MW518.71 g/mol
LogP11.42
Rot. Bonds3

About 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene

2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene (PubChem CID 22245422) has the molecular formula C36H22S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene
PubChem CID22245422
Molecular FormulaC36H22S2
Molecular Weight518.71 g/mol
Exact Mass518.12
IUPAC Name2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene
SMILESc1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc7cc8ccccc8cc7c6)s5)s4)ccc3cc2c1
InChIInChI=1S/C36H22S2/c1-3-7-25-19-31-21-29(11-9-27(31)17-23(25)5-1)33-13-15-35(37-33)36-16-14-34(38-36)30-12-10-28-18-24-6-2-4-8-26(24)20-32(28)22-30/h1-22H
InChIKeyQGIZDKNMUPVDJA-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene (CID 22245422) is 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene is c1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc7cc8ccccc8cc7c6)s5)s4)ccc3cc2c1.
What is the InChIKey of 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene?
The InChIKey is QGIZDKNMUPVDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22S2/c1-3-7-25-19-31-21-29(11-9-27(31)17-23(25)5-1)33-13-15-35(37-33)36-16-14-34(38-36)30-12-10-28-18-24-6-2-4-8-26(24)20-32(28)22-30/h1-22H.
What are the key properties of 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene?
2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene has a molecular weight of 518.71 g/mol, XLogP of 11.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-5-(5-anthracen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 22245422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).