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

C44H26S2 — CID 22245420

IUPAC2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene
SMILESc1ccc2cc3cc4cc(-c5ccc(-c6ccc(-c7ccc8cc9cc%10ccccc%10cc9cc8c7)s6)s5)ccc4cc3cc2c1
InChIInChI=1S/C44H26S2/c1-3-7-29-19-39-25-35-23-33(11-9-31(35)21-37(39)17-27(29)5-1)41-13-15-43(45-41)44-16-14-42(46-44)34-12-10-32-22-38-18-28-6-2-4-8-30(28)20-40(38)26-36(32)24-34/h1-26H
InChIKeyMKIIVQIOZYTIPM-UHFFFAOYSA-N
MW618.83 g/mol
LogP13.73
Rot. Bonds3

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

2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene (PubChem CID 22245420) has the molecular formula C44H26S2 and a molecular weight of 618.83 g/mol. Its IUPAC name is 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene
PubChem CID22245420
Molecular FormulaC44H26S2
Molecular Weight618.83 g/mol
Exact Mass618.15
IUPAC Name2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene
SMILESc1ccc2cc3cc4cc(-c5ccc(-c6ccc(-c7ccc8cc9cc%10ccccc%10cc9cc8c7)s6)s5)ccc4cc3cc2c1
InChIInChI=1S/C44H26S2/c1-3-7-29-19-39-25-35-23-33(11-9-31(35)21-37(39)17-27(29)5-1)41-13-15-43(45-41)44-16-14-42(46-44)34-12-10-32-22-38-18-28-6-2-4-8-30(28)20-40(38)26-36(32)24-34/h1-26H
InChIKeyMKIIVQIOZYTIPM-UHFFFAOYSA-N
XLogP13.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.83
LogP ≤ 513.73
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-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene (CID 22245420) is 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene is c1ccc2cc3cc4cc(-c5ccc(-c6ccc(-c7ccc8cc9cc%10ccccc%10cc9cc8c7)s6)s5)ccc4cc3cc2c1.
What is the InChIKey of 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene?
The InChIKey is MKIIVQIOZYTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26S2/c1-3-7-29-19-39-25-35-23-33(11-9-31(35)21-37(39)17-27(29)5-1)41-13-15-43(45-41)44-16-14-42(46-44)34-12-10-32-22-38-18-28-6-2-4-8-30(28)20-40(38)26-36(32)24-34/h1-26H.
What are the key properties of 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene?
2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene has a molecular weight of 618.83 g/mol, XLogP of 13.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 22245420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).