1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene

C106H78S12 — CID 159703944

IUPAC1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)s2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2cccs2)cc1.c1csc(-c2ccc(-c3cccs3)cc2)c1.c1csc(-c2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C26H18S4.C18H14.C16H12S.C14H10S2.C12H8S3.2C10H8S/c1-3-23(27-17-1)25-15-13-21(29-25)11-9-19-5-7-20(8-6-19)10-12-22-14-16-26(30-22)24-4-2-18-28-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-3-13(15-9-1)11-5-7-12(8-6-11)14-4-2-10-16-14;1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;2*1-2-5-9(6-3-1)10-7-4-8-11-10/h1-18H;1-14H;1-12H;1-10H;1-8H;2*1-8H/b11-9+,12-10+;;;;;;
InChIKeyMXYZFKVNYHWSKH-QNXIZDLJSA-N
MW1736.59 g/mol
LogP36.89
Rot. Bonds16

About 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene

1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene (PubChem CID 159703944) has the molecular formula C106H78S12 and a molecular weight of 1736.59 g/mol. Its IUPAC name is 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene.

Molecular Properties

Compound Name1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene
PubChem CID159703944
Molecular FormulaC106H78S12
Molecular Weight1736.59 g/mol
Exact Mass1734.28
IUPAC Name1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)s2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2cccs2)cc1.c1csc(-c2ccc(-c3cccs3)cc2)c1.c1csc(-c2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C26H18S4.C18H14.C16H12S.C14H10S2.C12H8S3.2C10H8S/c1-3-23(27-17-1)25-15-13-21(29-25)11-9-19-5-7-20(8-6-19)10-12-22-14-16-26(30-22)24-4-2-18-28-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-3-13(15-9-1)11-5-7-12(8-6-11)14-4-2-10-16-14;1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;2*1-2-5-9(6-3-1)10-7-4-8-11-10/h1-18H;1-14H;1-12H;1-10H;1-8H;2*1-8H/b11-9+,12-10+;;;;;;
InChIKeyMXYZFKVNYHWSKH-QNXIZDLJSA-N
XLogP36.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.59
LogP ≤ 536.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene?
The IUPAC name of 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene (CID 159703944) is 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene.
What is the SMILES notation for 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene?
The canonical SMILES for 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene is C(=C/c1ccc(-c2cccs2)s1)\c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)s2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2cccs2)cc1.c1csc(-c2ccc(-c3cccs3)cc2)c1.c1csc(-c2ccc(-c3cccs3)s2)c1.
What is the InChIKey of 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene?
The InChIKey is MXYZFKVNYHWSKH-QNXIZDLJSA-N. The full InChI is InChI=1S/C26H18S4.C18H14.C16H12S.C14H10S2.C12H8S3.2C10H8S/c1-3-23(27-17-1)25-15-13-21(29-25)11-9-19-5-7-20(8-6-19)10-12-22-14-16-26(30-22)24-4-2-18-28-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-3-13(15-9-1)11-5-7-12(8-6-11)14-4-2-10-16-14;1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;2*1-2-5-9(6-3-1)10-7-4-8-11-10/h1-18H;1-14H;1-12H;1-10H;1-8H;2*1-8H/b11-9+,12-10+;;;;;;.
What are the key properties of 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene?
1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene has a molecular weight of 1736.59 g/mol, XLogP of 36.89, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;2,5-diphenylthiophene;2,5-dithiophen-2-ylthiophene;bis(2-phenylthiophene);2-(4-thiophen-2-ylphenyl)thiophene;2-thiophen-2-yl-5-[(E)-2-[4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene is sourced from PubChem (CID 159703944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).