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

C50H27F5S5 — CID 101052397

IUPAC3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene
SMILESFc1ccc(-c2csc(-c3sc(-c4sc(-c5sc(-c6sccc6-c6ccc(F)cc6)cc5-c5ccc(F)cc5)cc4-c4ccc(F)cc4)cc3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C50H27F5S5/c51-34-11-1-28(2-12-34)33-23-43(57-27-33)48-40(30-5-15-36(53)16-6-30)25-45(59-48)50-42(32-9-19-38(55)20-10-32)26-46(60-50)49-41(31-7-17-37(54)18-8-31)24-44(58-49)47-39(21-22-56-47)29-3-13-35(52)14-4-29/h1-27H
InChIKeyWRAWWVPBARFVQX-UHFFFAOYSA-N
MW883.09 g/mol
LogP17.69
Rot. Bonds9

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

3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene (PubChem CID 101052397) has the molecular formula C50H27F5S5 and a molecular weight of 883.09 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene
PubChem CID101052397
Molecular FormulaC50H27F5S5
Molecular Weight883.09 g/mol
Exact Mass882.06
IUPAC Name3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene
SMILESFc1ccc(-c2csc(-c3sc(-c4sc(-c5sc(-c6sccc6-c6ccc(F)cc6)cc5-c5ccc(F)cc5)cc4-c4ccc(F)cc4)cc3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C50H27F5S5/c51-34-11-1-28(2-12-34)33-23-43(57-27-33)48-40(30-5-15-36(53)16-6-30)25-45(59-48)50-42(32-9-19-38(55)20-10-32)26-46(60-50)49-41(31-7-17-37(54)18-8-31)24-44(58-49)47-39(21-22-56-47)29-3-13-35(52)14-4-29/h1-27H
InChIKeyWRAWWVPBARFVQX-UHFFFAOYSA-N
XLogP17.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.09
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene?
The IUPAC name of 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene (CID 101052397) is 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene?
The canonical SMILES for 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene is Fc1ccc(-c2csc(-c3sc(-c4sc(-c5sc(-c6sccc6-c6ccc(F)cc6)cc5-c5ccc(F)cc5)cc4-c4ccc(F)cc4)cc3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene?
The InChIKey is WRAWWVPBARFVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H27F5S5/c51-34-11-1-28(2-12-34)33-23-43(57-27-33)48-40(30-5-15-36(53)16-6-30)25-45(59-48)50-42(32-9-19-38(55)20-10-32)26-46(60-50)49-41(31-7-17-37(54)18-8-31)24-44(58-49)47-39(21-22-56-47)29-3-13-35(52)14-4-29/h1-27H.
What are the key properties of 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene?
3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene has a molecular weight of 883.09 g/mol, XLogP of 17.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-(4-fluorophenyl)thiophen-2-yl]thiophene is sourced from PubChem (CID 101052397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).