2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine

C97H107BrN4S8 — CID 161021702

IUPAC2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccc(CCCCCCCC)s6)s5)cc(-c5cc(-c6ccc(-c7ccc(CCCCCCCC)s7)s6)ccn5)n4)c3)s2)s1.CCCCCCc1ccc(-c2ccc(Br)s2)s1.Cc1cccc(-c2cc(C)cc(-c3cc(C)ccn3)n2)c1
InChIInChI=1S/C64H72N2S6.C19H18N2.C14H17BrS2/c1-4-7-10-13-16-19-25-50-28-31-59(67-50)62-37-34-56(70-62)47-24-22-23-46(42-47)53-44-49(58-36-39-64(72-58)61-33-30-52(69-61)27-21-18-15-12-9-6-3)45-55(66-53)54-43-48(40-41-65-54)57-35-38-63(71-57)60-32-29-51(68-60)26-20-17-14-11-8-5-2;1-13-5-4-6-16(9-13)17-11-15(3)12-19(21-17)18-10-14(2)7-8-20-18;1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h22-24,28-45H,4-21,25-27H2,1-3H3;4-12H,1-3H3;7-10H,2-6H2,1H3
InChIKeyTYLPDURXQYYWKH-UHFFFAOYSA-N
MW1665.39 g/mol
LogP33.99
Rot. Bonds37

About 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine

2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine (PubChem CID 161021702) has the molecular formula C97H107BrN4S8 and a molecular weight of 1665.39 g/mol. Its IUPAC name is 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
PubChem CID161021702
Molecular FormulaC97H107BrN4S8
Molecular Weight1665.39 g/mol
Exact Mass1662.54
IUPAC Name2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccc(CCCCCCCC)s6)s5)cc(-c5cc(-c6ccc(-c7ccc(CCCCCCCC)s7)s6)ccn5)n4)c3)s2)s1.CCCCCCc1ccc(-c2ccc(Br)s2)s1.Cc1cccc(-c2cc(C)cc(-c3cc(C)ccn3)n2)c1
InChIInChI=1S/C64H72N2S6.C19H18N2.C14H17BrS2/c1-4-7-10-13-16-19-25-50-28-31-59(67-50)62-37-34-56(70-62)47-24-22-23-46(42-47)53-44-49(58-36-39-64(72-58)61-33-30-52(69-61)27-21-18-15-12-9-6-3)45-55(66-53)54-43-48(40-41-65-54)57-35-38-63(71-57)60-32-29-51(68-60)26-20-17-14-11-8-5-2;1-13-5-4-6-16(9-13)17-11-15(3)12-19(21-17)18-10-14(2)7-8-20-18;1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h22-24,28-45H,4-21,25-27H2,1-3H3;4-12H,1-3H3;7-10H,2-6H2,1H3
InChIKeyTYLPDURXQYYWKH-UHFFFAOYSA-N
XLogP33.99
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.39
LogP ≤ 533.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 58321391
2-[4-formyloxy-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 140822285
4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 71217085
2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
CID 66714075
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
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
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 70808059
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
5-[5-[3,5-bis[5-[4,5-bis(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(5-hexylthiophen-2-yl)thiophene
CID 101383474
2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
The IUPAC name of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine (CID 161021702) is 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine is CCCCCCCCc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccc(CCCCCCCC)s6)s5)cc(-c5cc(-c6ccc(-c7ccc(CCCCCCCC)s7)s6)ccn5)n4)c3)s2)s1.CCCCCCc1ccc(-c2ccc(Br)s2)s1.Cc1cccc(-c2cc(C)cc(-c3cc(C)ccn3)n2)c1.
What is the InChIKey of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
The InChIKey is TYLPDURXQYYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72N2S6.C19H18N2.C14H17BrS2/c1-4-7-10-13-16-19-25-50-28-31-59(67-50)62-37-34-56(70-62)47-24-22-23-46(42-47)53-44-49(58-36-39-64(72-58)61-33-30-52(69-61)27-21-18-15-12-9-6-3)45-55(66-53)54-43-48(40-41-65-54)57-35-38-63(71-57)60-32-29-51(68-60)26-20-17-14-11-8-5-2;1-13-5-4-6-16(9-13)17-11-15(3)12-19(21-17)18-10-14(2)7-8-20-18;1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h22-24,28-45H,4-21,25-27H2,1-3H3;4-12H,1-3H3;7-10H,2-6H2,1H3.
What are the key properties of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine has a molecular weight of 1665.39 g/mol, XLogP of 33.99, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 161021702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).