2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene

C60H70S2 — CID 88569472

IUPAC2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene
SMILESCCCCCCCCCCCCc1c2ccccc2c(-c2ccc(-c3ccc(-c4c5ccccc5c(CCCCCCCCCCCC)c5ccccc45)s3)s2)c2ccccc12
InChIInChI=1S/C60H70S2/c1-3-5-7-9-11-13-15-17-19-21-31-45-47-33-23-27-37-51(47)59(52-38-28-24-34-48(45)52)57-43-41-55(61-57)56-42-44-58(62-56)60-53-39-29-25-35-49(53)46(50-36-26-30-40-54(50)60)32-22-20-18-16-14-12-10-8-6-4-2/h23-30,33-44H,3-22,31-32H2,1-2H3
InChIKeyIGKCQYKOVZRWOS-UHFFFAOYSA-N
MW855.35 g/mol
LogP20.35
Rot. Bonds25

About 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene

2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene (PubChem CID 88569472) has the molecular formula C60H70S2 and a molecular weight of 855.35 g/mol. Its IUPAC name is 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene
PubChem CID88569472
Molecular FormulaC60H70S2
Molecular Weight855.35 g/mol
Exact Mass854.49
IUPAC Name2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene
SMILESCCCCCCCCCCCCc1c2ccccc2c(-c2ccc(-c3ccc(-c4c5ccccc5c(CCCCCCCCCCCC)c5ccccc45)s3)s2)c2ccccc12
InChIInChI=1S/C60H70S2/c1-3-5-7-9-11-13-15-17-19-21-31-45-47-33-23-27-37-51(47)59(52-38-28-24-34-48(45)52)57-43-41-55(61-57)56-42-44-58(62-56)60-53-39-29-25-35-49(53)46(50-36-26-30-40-54(50)60)32-22-20-18-16-14-12-10-8-6-4-2/h23-30,33-44H,3-22,31-32H2,1-2H3
InChIKeyIGKCQYKOVZRWOS-UHFFFAOYSA-N
XLogP20.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.35
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-10-hexylanthracene
CID 141284839
2-hexyl-5-[5-[5-[13-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 101482940
9,10-dibutylanthracene
CID 605822
10-octylanthracen-9-amine
CID 87887624
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
9-butyl-10-methylanthracene
CID 22754688
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020

Frequently Asked Questions

What is the IUPAC name of 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene (CID 88569472) is 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene is CCCCCCCCCCCCc1c2ccccc2c(-c2ccc(-c3ccc(-c4c5ccccc5c(CCCCCCCCCCCC)c5ccccc45)s3)s2)c2ccccc12.
What is the InChIKey of 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene?
The InChIKey is IGKCQYKOVZRWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H70S2/c1-3-5-7-9-11-13-15-17-19-21-31-45-47-33-23-27-37-51(47)59(52-38-28-24-34-48(45)52)57-43-41-55(61-57)56-42-44-58(62-56)60-53-39-29-25-35-49(53)46(50-36-26-30-40-54(50)60)32-22-20-18-16-14-12-10-8-6-4-2/h23-30,33-44H,3-22,31-32H2,1-2H3.
What are the key properties of 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene?
2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene has a molecular weight of 855.35 g/mol, XLogP of 20.35, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 88569472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).