2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene

C102H84O8S8 — CID 101251536

IUPAC2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene
SMILESc1ccc(COc2cc(CSc3ccc(C(=C(c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)s3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C102H84O8S8/c1-9-25-73(26-10-1)61-103-85-49-81(50-86(57-85)104-62-74-27-11-2-12-28-74)69-111-97-45-41-93(115-97)101(94-42-46-98(116-94)112-70-82-51-87(105-63-75-29-13-3-14-30-75)58-88(52-82)106-64-76-31-15-4-16-32-76)102(95-43-47-99(117-95)113-71-83-53-89(107-65-77-33-17-5-18-34-77)59-90(54-83)108-66-78-35-19-6-20-36-78)96-44-48-100(118-96)114-72-84-55-91(109-67-79-37-21-7-22-38-79)60-92(56-84)110-68-80-39-23-8-24-40-80/h1-60H,61-72H2
InChIKeyBOKALANEWZTPEL-UHFFFAOYSA-N
MW1694.32 g/mol
LogP28.74
Rot. Bonds40

About 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene

2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene (PubChem CID 101251536) has the molecular formula C102H84O8S8 and a molecular weight of 1694.32 g/mol. Its IUPAC name is 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene.

Molecular Properties

Compound Name2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene
PubChem CID101251536
Molecular FormulaC102H84O8S8
Molecular Weight1694.32 g/mol
Exact Mass1692.39
IUPAC Name2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene
SMILESc1ccc(COc2cc(CSc3ccc(C(=C(c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)s3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C102H84O8S8/c1-9-25-73(26-10-1)61-103-85-49-81(50-86(57-85)104-62-74-27-11-2-12-28-74)69-111-97-45-41-93(115-97)101(94-42-46-98(116-94)112-70-82-51-87(105-63-75-29-13-3-14-30-75)58-88(52-82)106-64-76-31-15-4-16-32-76)102(95-43-47-99(117-95)113-71-83-53-89(107-65-77-33-17-5-18-34-77)59-90(54-83)108-66-78-35-19-6-20-36-78)96-44-48-100(118-96)114-72-84-55-91(109-67-79-37-21-7-22-38-79)60-92(56-84)110-68-80-39-23-8-24-40-80/h1-60H,61-72H2
InChIKeyBOKALANEWZTPEL-UHFFFAOYSA-N
XLogP28.74
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.32
LogP ≤ 528.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene with MolForge

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
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1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
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[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
[3,5-bis(phenylmethoxy)phenyl]methyl hydrogen sulfate
CID 102022862
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene?
The IUPAC name of 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene (CID 101251536) is 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene.
What is the SMILES notation for 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene?
The canonical SMILES for 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene is c1ccc(COc2cc(CSc3ccc(C(=C(c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)c4ccc(SCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)s4)s3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene?
The InChIKey is BOKALANEWZTPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H84O8S8/c1-9-25-73(26-10-1)61-103-85-49-81(50-86(57-85)104-62-74-27-11-2-12-28-74)69-111-97-45-41-93(115-97)101(94-42-46-98(116-94)112-70-82-51-87(105-63-75-29-13-3-14-30-75)58-88(52-82)106-64-76-31-15-4-16-32-76)102(95-43-47-99(117-95)113-71-83-53-89(107-65-77-33-17-5-18-34-77)59-90(54-83)108-66-78-35-19-6-20-36-78)96-44-48-100(118-96)114-72-84-55-91(109-67-79-37-21-7-22-38-79)60-92(56-84)110-68-80-39-23-8-24-40-80/h1-60H,61-72H2.
What are the key properties of 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene?
2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene has a molecular weight of 1694.32 g/mol, XLogP of 28.74, 40 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene is sourced from PubChem (CID 101251536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).