2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene

C98H51F11S8 — CID 101128158

IUPAC2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene
SMILESFc1ccc(-c2ccsc2-c2sc(-c3ccc(-c4cc(-c5ccc(F)cc5)c(-c5sc(-c6ccc(-c7cc(-c8ccc(F)cc8)c(-c8sc(-c9ccc(-c%10cc(-c%11ccc(F)cc%11)c(-c%11sccc%11-c%11ccc(F)cc%11)s%10)c(F)c9)cc8-c8ccc(F)cc8)s7)c(F)c6)cc5-c5ccc(F)cc5)s4)c(F)c3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C98H51F11S8/c99-63-20-1-52(2-21-63)71-39-41-110-91(71)93-76(54-5-24-65(101)25-6-54)46-85(112-93)60-17-37-74(83(108)43-60)89-50-80(58-13-32-69(105)33-14-58)97(116-89)96-78(56-9-28-67(103)29-10-56)48-87(114-96)62-19-38-75(84(109)45-62)90-51-81(59-15-34-70(106)35-16-59)98(117-90)95-77(55-7-26-66(102)27-8-55)47-86(113-95)61-18-36-73(82(107)44-61)88-49-79(57-11-30-68(104)31-12-57)94(115-88)92-72(40-42-111-92)53-3-22-64(100)23-4-53/h1-51H
InChIKeyPGZUUGQRWARWSZ-UHFFFAOYSA-N
MW1694.00 g/mol
LogP33.71
Rot. Bonds18

About 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene

2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene (PubChem CID 101128158) has the molecular formula C98H51F11S8 and a molecular weight of 1694.00 g/mol. Its IUPAC name is 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene.

Molecular Properties

Compound Name2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene
PubChem CID101128158
Molecular FormulaC98H51F11S8
Molecular Weight1694.00 g/mol
Exact Mass1692.16
IUPAC Name2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene
SMILESFc1ccc(-c2ccsc2-c2sc(-c3ccc(-c4cc(-c5ccc(F)cc5)c(-c5sc(-c6ccc(-c7cc(-c8ccc(F)cc8)c(-c8sc(-c9ccc(-c%10cc(-c%11ccc(F)cc%11)c(-c%11sccc%11-c%11ccc(F)cc%11)s%10)c(F)c9)cc8-c8ccc(F)cc8)s7)c(F)c6)cc5-c5ccc(F)cc5)s4)c(F)c3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C98H51F11S8/c99-63-20-1-52(2-21-63)71-39-41-110-91(71)93-76(54-5-24-65(101)25-6-54)46-85(112-93)60-17-37-74(83(108)43-60)89-50-80(58-13-32-69(105)33-14-58)97(116-89)96-78(56-9-28-67(103)29-10-56)48-87(114-96)62-19-38-75(84(109)45-62)90-51-81(59-15-34-70(106)35-16-59)98(117-90)95-77(55-7-26-66(102)27-8-55)47-86(113-95)61-18-36-73(82(107)44-61)88-49-79(57-11-30-68(104)31-12-57)94(115-88)92-72(40-42-111-92)53-3-22-64(100)23-4-53/h1-51H
InChIKeyPGZUUGQRWARWSZ-UHFFFAOYSA-N
XLogP33.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.00
LogP ≤ 533.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene?
The IUPAC name of 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene (CID 101128158) is 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene.
What is the SMILES notation for 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene?
The canonical SMILES for 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene is Fc1ccc(-c2ccsc2-c2sc(-c3ccc(-c4cc(-c5ccc(F)cc5)c(-c5sc(-c6ccc(-c7cc(-c8ccc(F)cc8)c(-c8sc(-c9ccc(-c%10cc(-c%11ccc(F)cc%11)c(-c%11sccc%11-c%11ccc(F)cc%11)s%10)c(F)c9)cc8-c8ccc(F)cc8)s7)c(F)c6)cc5-c5ccc(F)cc5)s4)c(F)c3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene?
The InChIKey is PGZUUGQRWARWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H51F11S8/c99-63-20-1-52(2-21-63)71-39-41-110-91(71)93-76(54-5-24-65(101)25-6-54)46-85(112-93)60-17-37-74(83(108)43-60)89-50-80(58-13-32-69(105)33-14-58)97(116-89)96-78(56-9-28-67(103)29-10-56)48-87(114-96)62-19-38-75(84(109)45-62)90-51-81(59-15-34-70(106)35-16-59)98(117-90)95-77(55-7-26-66(102)27-8-55)47-86(113-95)61-18-36-73(82(107)44-61)88-49-79(57-11-30-68(104)31-12-57)94(115-88)92-72(40-42-111-92)53-3-22-64(100)23-4-53/h1-51H.
What are the key properties of 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene?
2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene has a molecular weight of 1694.00 g/mol, XLogP of 33.71, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-fluoro-4-[5-[5-[3-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-4-(4-fluorophenyl)thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophen-2-yl]-5-[2-fluoro-4-[4-(4-fluorophenyl)-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-3-(4-fluorophenyl)thiophene is sourced from PubChem (CID 101128158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).