5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene

C63H42F6S2 — CID 134393777

IUPAC5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
SMILESCc1sc(-c2ccc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1C1=C(c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C63H42F6S2/c1-39-53(37-57(70-39)47-27-23-45(24-28-47)51-33-31-49(41-15-7-3-8-16-41)35-55(51)43-19-11-5-12-20-43)59-60(62(66,67)63(68,69)61(59,64)65)54-38-58(71-40(54)2)48-29-25-46(26-30-48)52-34-32-50(42-17-9-4-10-18-42)36-56(52)44-21-13-6-14-22-44/h3-38H,1-2H3
InChIKeyNZRRHDJPMAVFOJ-UHFFFAOYSA-N
MW977.15 g/mol
LogP19.59
Rot. Bonds10

About 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene

5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene (PubChem CID 134393777) has the molecular formula C63H42F6S2 and a molecular weight of 977.15 g/mol. Its IUPAC name is 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene.

Molecular Properties

Compound Name5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
PubChem CID134393777
Molecular FormulaC63H42F6S2
Molecular Weight977.15 g/mol
Exact Mass976.26
IUPAC Name5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
SMILESCc1sc(-c2ccc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1C1=C(c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C63H42F6S2/c1-39-53(37-57(70-39)47-27-23-45(24-28-47)51-33-31-49(41-15-7-3-8-16-41)35-55(51)43-19-11-5-12-20-43)59-60(62(66,67)63(68,69)61(59,64)65)54-38-58(71-40(54)2)48-29-25-46(26-30-48)52-34-32-50(42-17-9-4-10-18-42)36-56(52)44-21-13-6-14-22-44/h3-38H,1-2H3
InChIKeyNZRRHDJPMAVFOJ-UHFFFAOYSA-N
XLogP19.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.15
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
CID 143334929
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopentene-1-carbaldehyde
CID 59420013
2,5-diethynyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-4-methylthiophene
CID 102497315
4,14-bis[4-(2,4-diphenylphenyl)phenyl]-8,8,9,9,10,10-hexafluoro-1,2,5,13-tetramethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
CID 101242394
2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-3-[2-[5-(4-chlorophenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene
CID 146357100
benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)
CID 139145885
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
CID 101101183

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene?
The IUPAC name of 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene (CID 134393777) is 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene.
What is the SMILES notation for 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene?
The canonical SMILES for 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene is Cc1sc(-c2ccc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1C1=C(c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene?
The InChIKey is NZRRHDJPMAVFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42F6S2/c1-39-53(37-57(70-39)47-27-23-45(24-28-47)51-33-31-49(41-15-7-3-8-16-41)35-55(51)43-19-11-5-12-20-43)59-60(62(66,67)63(68,69)61(59,64)65)54-38-58(71-40(54)2)48-29-25-46(26-30-48)52-34-32-50(42-17-9-4-10-18-42)36-56(52)44-21-13-6-14-22-44/h3-38H,1-2H3.
What are the key properties of 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene?
5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene has a molecular weight of 977.15 g/mol, XLogP of 19.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene is sourced from PubChem (CID 134393777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).