2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C48H62S6 — CID 24746397

IUPAC2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCCCCCCCCC)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C48H62S6/c1-3-5-7-9-11-13-15-17-19-21-23-37-25-27-39(49-37)41-29-31-43(51-41)45-33-35-47(53-45)48-36-34-46(54-48)44-32-30-42(52-44)40-28-26-38(50-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-36H,3-24H2,1-2H3
InChIKeyMXDVYJCNILVWPU-UHFFFAOYSA-N
MW831.43 g/mol
LogP19.32
Rot. Bonds27

About 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 24746397) has the molecular formula C48H62S6 and a molecular weight of 831.43 g/mol. Its IUPAC name is 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID24746397
Molecular FormulaC48H62S6
Molecular Weight831.43 g/mol
Exact Mass830.32
IUPAC Name2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCCCCCCCCC)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C48H62S6/c1-3-5-7-9-11-13-15-17-19-21-23-37-25-27-39(49-37)41-29-31-43(51-41)45-33-35-47(53-45)48-36-34-46(54-48)44-32-30-42(52-44)40-28-26-38(50-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-36H,3-24H2,1-2H3
InChIKeyMXDVYJCNILVWPU-UHFFFAOYSA-N
XLogP19.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.43
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

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Related Compounds

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
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
2,5-diheptylthiophene
CID 607114
4,10-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 86020599
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-7-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 102170175
2,5-bis[5-[2-(5-pentylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophene
CID 101379220
S-[6-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl] ethanethioate
CID 101498885

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 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) is 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCCCCCCCCC)s6)s5)s4)s3)s2)s1.
What is the InChIKey of 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is MXDVYJCNILVWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H62S6/c1-3-5-7-9-11-13-15-17-19-21-23-37-25-27-39(49-37)41-29-31-43(51-41)45-33-35-47(53-45)48-36-34-46(54-48)44-32-30-42(52-44)40-28-26-38(50-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-36H,3-24H2,1-2H3.
What are the key properties of 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 831.43 g/mol, XLogP of 19.32, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 24746397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).