2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene

C36H22F4S4 — CID 155884668

IUPAC2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene
SMILESCc1sc(-c2ccc(-c3ccccc3)s2)cc1-c1c(F)c(F)c(F)c(F)c1-c1cc(-c2ccc(-c3ccccc3)s2)sc1C
InChIInChI=1S/C36H22F4S4/c1-19-23(17-29(41-19)27-15-13-25(43-27)21-9-5-3-6-10-21)31-32(34(38)36(40)35(39)33(31)37)24-18-30(42-20(24)2)28-16-14-26(44-28)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyAMDUTTGVPPCXJN-UHFFFAOYSA-N
MW658.83 g/mol
LogP13.11
Rot. Bonds6

About 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene

2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene (PubChem CID 155884668) has the molecular formula C36H22F4S4 and a molecular weight of 658.83 g/mol. Its IUPAC name is 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene
PubChem CID155884668
Molecular FormulaC36H22F4S4
Molecular Weight658.83 g/mol
Exact Mass658.05
IUPAC Name2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene
SMILESCc1sc(-c2ccc(-c3ccccc3)s2)cc1-c1c(F)c(F)c(F)c(F)c1-c1cc(-c2ccc(-c3ccccc3)s2)sc1C
InChIInChI=1S/C36H22F4S4/c1-19-23(17-29(41-19)27-15-13-25(43-27)21-9-5-3-6-10-21)31-32(34(38)36(40)35(39)33(31)37)24-18-30(42-20(24)2)28-16-14-26(44-28)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyAMDUTTGVPPCXJN-UHFFFAOYSA-N
XLogP13.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
CID 58876225
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
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
2,5-bis(3,5-diphenylphenyl)thiophene
CID 175285531
2,3-bis(2-methyl-5-phenylthiophen-3-yl)naphthalene-1,4-dione
CID 101124465
CID 20746426
CID 20746426
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
2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
CID 143334929
5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene
CID 102083532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene?
The IUPAC name of 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene (CID 155884668) is 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene.
What is the SMILES notation for 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene?
The canonical SMILES for 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene is Cc1sc(-c2ccc(-c3ccccc3)s2)cc1-c1c(F)c(F)c(F)c(F)c1-c1cc(-c2ccc(-c3ccccc3)s2)sc1C.
What is the InChIKey of 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene?
The InChIKey is AMDUTTGVPPCXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F4S4/c1-19-23(17-29(41-19)27-15-13-25(43-27)21-9-5-3-6-10-21)31-32(34(38)36(40)35(39)33(31)37)24-18-30(42-20(24)2)28-16-14-26(44-28)22-11-7-4-8-12-22/h3-18H,1-2H3.
What are the key properties of 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene?
2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene has a molecular weight of 658.83 g/mol, XLogP of 13.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene is sourced from PubChem (CID 155884668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).