5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium

C145H207B2BrO4S12V — CID 159751077

IUPAC5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium
SMILESC.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5cc(CCCCCCCCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCCCCCCCC)s7)s6)s5)cc4)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(Br)cc3CCCCCCCCCCCC)s2)s1.[V]
InChIInChI=1S/C86H118S8.C40H57BrS4.C18H28B2O4.CH4.V/c1-5-9-13-17-21-25-29-33-37-41-45-69-61-63-87-83(69)77-57-53-73(89-77)75-55-59-79(91-75)85-71(47-43-39-35-31-27-23-19-15-11-7-3)65-81(93-85)67-49-51-68(52-50-67)82-66-72(48-44-40-36-32-28-24-20-16-12-8-4)86(94-82)80-60-56-76(92-80)74-54-58-78(90-74)84-70(62-64-88-84)46-42-38-34-30-26-22-18-14-10-6-2;1-3-5-7-9-11-13-15-17-19-21-23-32-29-30-42-39(32)36-27-25-34(43-36)35-26-28-37(44-35)40-33(31-38(41)45-40)24-22-20-18-16-14-12-10-8-6-4-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;/h49-66H,5-48H2,1-4H3;25-31H,3-24H2,1-2H3;9-12H,1-8H3;1H4;
InChIKeyNDQUSWMSHQCPCX-UHFFFAOYSA-N
MW2551.52 g/mol
LogP52.91
Rot. Bonds79

About 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium

5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium (PubChem CID 159751077) has the molecular formula C145H207B2BrO4S12V and a molecular weight of 2551.52 g/mol. Its IUPAC name is 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium.

Molecular Properties

Compound Name5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium
PubChem CID159751077
Molecular FormulaC145H207B2BrO4S12V
Molecular Weight2551.52 g/mol
Exact Mass2548.15
IUPAC Name5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium
SMILESC.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5cc(CCCCCCCCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCCCCCCCC)s7)s6)s5)cc4)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(Br)cc3CCCCCCCCCCCC)s2)s1.[V]
InChIInChI=1S/C86H118S8.C40H57BrS4.C18H28B2O4.CH4.V/c1-5-9-13-17-21-25-29-33-37-41-45-69-61-63-87-83(69)77-57-53-73(89-77)75-55-59-79(91-75)85-71(47-43-39-35-31-27-23-19-15-11-7-3)65-81(93-85)67-49-51-68(52-50-67)82-66-72(48-44-40-36-32-28-24-20-16-12-8-4)86(94-82)80-60-56-76(92-80)74-54-58-78(90-74)84-70(62-64-88-84)46-42-38-34-30-26-22-18-14-10-6-2;1-3-5-7-9-11-13-15-17-19-21-23-32-29-30-42-39(32)36-27-25-34(43-36)35-26-28-37(44-35)40-33(31-38(41)45-40)24-22-20-18-16-14-12-10-8-6-4-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;/h49-66H,5-48H2,1-4H3;25-31H,3-24H2,1-2H3;9-12H,1-8H3;1H4;
InChIKeyNDQUSWMSHQCPCX-UHFFFAOYSA-N
XLogP52.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds79
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.52
LogP ≤ 552.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium with MolForge

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Related Compounds

5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
CID 58159360
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene;hydrofluoride
CID 157282675
3-octadecyl-5-[3-octadecyl-5-[5-[4-octadecyl-5-[4-octadecyl-5-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 100961610
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 11513597
3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-iodothiophene
CID 86090497
9-ethyl-3,6-bis[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 59288572
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
5-bromo-2-[4-[4-(5-bromo-3-dodecylthiophen-2-yl)phenyl]phenyl]-3-dodecylthiophene;N-[4-[4-dodecyl-5-[4-[4-(3-dodecyl-5-phenylthiophen-2-yl)phenyl]phenyl]thiophen-2-yl]phenyl]-N-[4-(2-ethylhexoxy)phenyl]-4-phenylaniline;N-[4-(2-ethylhexoxy)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 160955666
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium?
The IUPAC name of 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium (CID 159751077) is 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium.
What is the SMILES notation for 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium?
The canonical SMILES for 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium is C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5cc(CCCCCCCCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCCCCCCCC)s7)s6)s5)cc4)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(Br)cc3CCCCCCCCCCCC)s2)s1.[V].
What is the InChIKey of 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium?
The InChIKey is NDQUSWMSHQCPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H118S8.C40H57BrS4.C18H28B2O4.CH4.V/c1-5-9-13-17-21-25-29-33-37-41-45-69-61-63-87-83(69)77-57-53-73(89-77)75-55-59-79(91-75)85-71(47-43-39-35-31-27-23-19-15-11-7-3)65-81(93-85)67-49-51-68(52-50-67)82-66-72(48-44-40-36-32-28-24-20-16-12-8-4)86(94-82)80-60-56-76(92-80)74-54-58-78(90-74)84-70(62-64-88-84)46-42-38-34-30-26-22-18-14-10-6-2;1-3-5-7-9-11-13-15-17-19-21-23-32-29-30-42-39(32)36-27-25-34(43-36)35-26-28-37(44-35)40-33(31-38(41)45-40)24-22-20-18-16-14-12-10-8-6-4-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;/h49-66H,5-48H2,1-4H3;25-31H,3-24H2,1-2H3;9-12H,1-8H3;1H4;.
What are the key properties of 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium?
5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium has a molecular weight of 2551.52 g/mol, XLogP of 52.91, 79 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-dodecyl-5-[4-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;vanadium is sourced from PubChem (CID 159751077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).