4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline

C80H84N4S6 — CID 122391801

IUPAC4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline
SMILESCCCCCCc1csc(-c2ccc(N(c3ccc(-c4cc(CCCCCC)cs4)cc3)c3ccc(-c4nc5sc(-c6ccc(N(c7ccc(-c8cc(CCCCCC)cs8)cc7)c7ccc(-c8cc(CCCCCC)cs8)cc7)cc6)nc5s4)cc3)cc2)c1
InChIInChI=1S/C80H84N4S6/c1-5-9-13-17-21-57-49-73(85-53-57)61-25-37-67(38-26-61)83(68-39-27-62(28-40-68)74-50-58(54-86-74)22-18-14-10-6-2)71-45-33-65(34-46-71)77-81-79-80(89-77)82-78(90-79)66-35-47-72(48-36-66)84(69-41-29-63(30-42-69)75-51-59(55-87-75)23-19-15-11-7-3)70-43-31-64(32-44-70)76-52-60(56-88-76)24-20-16-12-8-4/h25-56H,5-24H2,1-4H3
InChIKeyNIBZXDJZHLOOBU-UHFFFAOYSA-N
MW1293.98 g/mol
LogP27.43
Rot. Bonds32

About 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline

4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline (PubChem CID 122391801) has the molecular formula C80H84N4S6 and a molecular weight of 1293.98 g/mol. Its IUPAC name is 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline
PubChem CID122391801
Molecular FormulaC80H84N4S6
Molecular Weight1293.98 g/mol
Exact Mass1292.50
IUPAC Name4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline
SMILESCCCCCCc1csc(-c2ccc(N(c3ccc(-c4cc(CCCCCC)cs4)cc3)c3ccc(-c4nc5sc(-c6ccc(N(c7ccc(-c8cc(CCCCCC)cs8)cc7)c7ccc(-c8cc(CCCCCC)cs8)cc7)cc6)nc5s4)cc3)cc2)c1
InChIInChI=1S/C80H84N4S6/c1-5-9-13-17-21-57-49-73(85-53-57)61-25-37-67(38-26-61)83(68-39-27-62(28-40-68)74-50-58(54-86-74)22-18-14-10-6-2)71-45-33-65(34-46-71)77-81-79-80(89-77)82-78(90-79)66-35-47-72(48-36-66)84(69-41-29-63(30-42-69)75-51-59(55-87-75)23-19-15-11-7-3)70-43-31-64(32-44-70)76-52-60(56-88-76)24-20-16-12-8-4/h25-56H,5-24H2,1-4H3
InChIKeyNIBZXDJZHLOOBU-UHFFFAOYSA-N
XLogP27.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.98
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline with MolForge

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Related Compounds

4-hexyl-2-(4-methylphenyl)thiophene
CID 102312853
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
5-(4-hexylthiophen-2-yl)-2-[5-(4-hexylthiophen-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 102412162
4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
(E)-2-cyano-3-[4-(N-[4-[3-hexyl-5-[2-(4-hexylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 102100552
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
5-[5-(4-dodecylphenyl)-3-octylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 70806610
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
5,8-bis(4-hexylthiophen-2-yl)-3,10-diazahexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1(22),2,4,6,8,10,12,14,16(24),17,19(23),20-dodecaene
CID 122372904

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline (CID 122391801) is 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline is CCCCCCc1csc(-c2ccc(N(c3ccc(-c4cc(CCCCCC)cs4)cc3)c3ccc(-c4nc5sc(-c6ccc(N(c7ccc(-c8cc(CCCCCC)cs8)cc7)c7ccc(-c8cc(CCCCCC)cs8)cc7)cc6)nc5s4)cc3)cc2)c1.
What is the InChIKey of 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline?
The InChIKey is NIBZXDJZHLOOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H84N4S6/c1-5-9-13-17-21-57-49-73(85-53-57)61-25-37-67(38-26-61)83(68-39-27-62(28-40-68)74-50-58(54-86-74)22-18-14-10-6-2)71-45-33-65(34-46-71)77-81-79-80(89-77)82-78(90-79)66-35-47-72(48-36-66)84(69-41-29-63(30-42-69)75-51-59(55-87-75)23-19-15-11-7-3)70-43-31-64(32-44-70)76-52-60(56-88-76)24-20-16-12-8-4/h25-56H,5-24H2,1-4H3.
What are the key properties of 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline?
4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline has a molecular weight of 1293.98 g/mol, XLogP of 27.43, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 122391801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).