5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C114H99ClS18 — CID 159013218

IUPAC5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6sc(-c7cc(-c8ccc(CC)cc8)c(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccc(CCCCCC)s%12)s%11)s%10)s9)s8)s7)cc6-c6ccc(CC)cc6)s5)s4)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6sc(Cl)cc6-c6ccc(CC)cc6)s5)s4)s3)s2)s1
InChIInChI=1S/C76H66S12.C38H33ClS6/c1-5-9-11-13-15-51-25-27-55(77-51)57-29-31-59(79-57)61-33-35-63(81-61)65-37-39-67(83-65)69-41-43-71(85-69)75-53(49-21-17-47(7-3)18-22-49)45-73(87-75)74-46-54(50-23-19-48(8-4)20-24-50)76(88-74)72-44-42-70(86-72)68-40-38-66(84-68)64-36-34-62(82-64)60-32-30-58(80-60)56-28-26-52(78-56)16-14-12-10-6-2;1-3-5-6-7-8-26-13-14-28(40-26)29-15-16-30(41-29)31-17-18-32(42-31)33-19-20-34(43-33)35-21-22-36(44-35)38-27(23-37(39)45-38)25-11-9-24(4-2)10-12-25/h17-46H,5-16H2,1-4H3;9-23H,3-8H2,1-2H3
InChIKeyJSTKXKXGCRBPCO-UHFFFAOYSA-N
MW2081.70 g/mol
LogP44.86
Rot. Bonds37

About 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 159013218) has the molecular formula C114H99ClS18 and a molecular weight of 2081.70 g/mol. Its IUPAC name is 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID159013218
Molecular FormulaC114H99ClS18
Molecular Weight2081.70 g/mol
Exact Mass2078.24
IUPAC Name5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6sc(-c7cc(-c8ccc(CC)cc8)c(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccc(CCCCCC)s%12)s%11)s%10)s9)s8)s7)cc6-c6ccc(CC)cc6)s5)s4)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6sc(Cl)cc6-c6ccc(CC)cc6)s5)s4)s3)s2)s1
InChIInChI=1S/C76H66S12.C38H33ClS6/c1-5-9-11-13-15-51-25-27-55(77-51)57-29-31-59(79-57)61-33-35-63(81-61)65-37-39-67(83-65)69-41-43-71(85-69)75-53(49-21-17-47(7-3)18-22-49)45-73(87-75)74-46-54(50-23-19-48(8-4)20-24-50)76(88-74)72-44-42-70(86-72)68-40-38-66(84-68)64-36-34-62(82-64)60-32-30-58(80-60)56-28-26-52(78-56)16-14-12-10-6-2;1-3-5-6-7-8-26-13-14-28(40-26)29-15-16-30(41-29)31-17-18-32(42-31)33-19-20-34(43-33)35-21-22-36(44-35)38-27(23-37(39)45-38)25-11-9-24(4-2)10-12-25/h17-46H,5-16H2,1-4H3;9-23H,3-8H2,1-2H3
InChIKeyJSTKXKXGCRBPCO-UHFFFAOYSA-N
XLogP44.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds37
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.70
LogP ≤ 544.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-[3,5-bis[5-[4,5-bis(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(5-hexylthiophen-2-yl)thiophene
CID 101383474
3-(3-chloro-5-ethylphenyl)-2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 68915856
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58825513
2-[2,5-bis(5-octylthiophen-2-yl)thiophen-3-yl]ethanol
CID 640124
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
4,10-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 86020599
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
2-[3,5-bis[5-[4-decyl-5-(5-hexylthiophen-2-yl)thiophen-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]-5-[4-decyl-5-(5-hexylthiophen-2-yl)thiophen-2-yl]-1,3,4-thiadiazole
CID 132538998
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
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 159013218) is 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6sc(-c7cc(-c8ccc(CC)cc8)c(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccc(CCCCCC)s%12)s%11)s%10)s9)s8)s7)cc6-c6ccc(CC)cc6)s5)s4)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6sc(Cl)cc6-c6ccc(CC)cc6)s5)s4)s3)s2)s1.
What is the InChIKey of 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is JSTKXKXGCRBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H66S12.C38H33ClS6/c1-5-9-11-13-15-51-25-27-55(77-51)57-29-31-59(79-57)61-33-35-63(81-61)65-37-39-67(83-65)69-41-43-71(85-69)75-53(49-21-17-47(7-3)18-22-49)45-73(87-75)74-46-54(50-23-19-48(8-4)20-24-50)76(88-74)72-44-42-70(86-72)68-40-38-66(84-68)64-36-34-62(82-64)60-32-30-58(80-60)56-28-26-52(78-56)16-14-12-10-6-2;1-3-5-6-7-8-26-13-14-28(40-26)29-15-16-30(41-29)31-17-18-32(42-31)33-19-20-34(43-33)35-21-22-36(44-35)38-27(23-37(39)45-38)25-11-9-24(4-2)10-12-25/h17-46H,5-16H2,1-4H3;9-23H,3-8H2,1-2H3.
What are the key properties of 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 2081.70 g/mol, XLogP of 44.86, 37 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-ethylphenyl)-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;3-(4-ethylphenyl)-5-[4-(4-ethylphenyl)-5-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 159013218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).