2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene

C50H62O4S2 — CID 59288573

IUPAC2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene
SMILESCCCCCCOCCOCCc1ccc(-c2ccc(/C=C/c3ccc(/C=C/c4ccc(-c5ccc(CCOCCOCCCCCC)s5)cc4)cc3)cc2)s1
InChIInChI=1S/C50H62O4S2/c1-3-5-7-9-33-51-37-39-53-35-31-47-27-29-49(55-47)45-23-19-43(20-24-45)17-15-41-11-13-42(14-12-41)16-18-44-21-25-46(26-22-44)50-30-28-48(56-50)32-36-54-40-38-52-34-10-8-6-4-2/h11-30H,3-10,31-40H2,1-2H3/b17-15+,18-16+
InChIKeyBHWWXBZNDJTPIL-YTEMWHBBSA-N
MW791.18 g/mol
LogP13.80
Rot. Bonds28

About 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene

2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene (PubChem CID 59288573) has the molecular formula C50H62O4S2 and a molecular weight of 791.18 g/mol. Its IUPAC name is 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene.

Molecular Properties

Compound Name2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene
PubChem CID59288573
Molecular FormulaC50H62O4S2
Molecular Weight791.18 g/mol
Exact Mass790.41
IUPAC Name2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene
SMILESCCCCCCOCCOCCc1ccc(-c2ccc(/C=C/c3ccc(/C=C/c4ccc(-c5ccc(CCOCCOCCCCCC)s5)cc4)cc3)cc2)s1
InChIInChI=1S/C50H62O4S2/c1-3-5-7-9-33-51-37-39-53-35-31-47-27-29-49(55-47)45-23-19-43(20-24-45)17-15-41-11-13-42(14-12-41)16-18-44-21-25-46(26-22-44)50-30-28-48(56-50)32-36-54-40-38-52-34-10-8-6-4-2/h11-30H,3-10,31-40H2,1-2H3/b17-15+,18-16+
InChIKeyBHWWXBZNDJTPIL-YTEMWHBBSA-N
XLogP13.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.18
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene;2-[2-(2-butoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[5-[5-[5-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-[5-[4-[(E)-2-[4-[5-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;bis(2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-[5-[5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene);2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-(5-methylthiophen-2-yl)thiophene;2-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]-5-(5-methylthiophen-2-yl)thiophene
CID 160898597
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene
CID 161415611
9-butyl-3,6-bis[(E)-2-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]carbazole
CID 59288529
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
3-methyl-5-[5-[4-[(E)-2-[4-[5-(4-methyl-5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]-2-octylthiophene
CID 59288548
2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene
CID 59288539
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene?
The IUPAC name of 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene (CID 59288573) is 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene.
What is the SMILES notation for 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene?
The canonical SMILES for 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene is CCCCCCOCCOCCc1ccc(-c2ccc(/C=C/c3ccc(/C=C/c4ccc(-c5ccc(CCOCCOCCCCCC)s5)cc4)cc3)cc2)s1.
What is the InChIKey of 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene?
The InChIKey is BHWWXBZNDJTPIL-YTEMWHBBSA-N. The full InChI is InChI=1S/C50H62O4S2/c1-3-5-7-9-33-51-37-39-53-35-31-47-27-29-49(55-47)45-23-19-43(20-24-45)17-15-41-11-13-42(14-12-41)16-18-44-21-25-46(26-22-44)50-30-28-48(56-50)32-36-54-40-38-52-34-10-8-6-4-2/h11-30H,3-10,31-40H2,1-2H3/b17-15+,18-16+.
What are the key properties of 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene?
2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene has a molecular weight of 791.18 g/mol, XLogP of 13.80, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hexoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[2-(2-hexoxyethoxy)ethyl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene is sourced from PubChem (CID 59288573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).