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

C48H46OS6 — CID 59288478

IUPAC2-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
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(Oc5ccc(-c6ccc(-c7ccc(-c8ccc(CCCCCC)s8)s7)s6)cc5)cc4)s3)s2)s1
InChIInChI=1S/C48H46OS6/c1-3-5-7-9-11-37-21-23-41(50-37)43-29-31-47(54-43)45-27-25-39(52-45)33-13-17-35(18-14-33)49-36-19-15-34(16-20-36)40-26-28-46(53-40)48-32-30-44(55-48)42-24-22-38(51-42)12-10-8-6-4-2/h13-32H,3-12H2,1-2H3
InChIKeyMIPHRWIFNYLBMC-UHFFFAOYSA-N
MW831.30 g/mol
LogP18.10
Rot. Bonds18

About 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

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 (PubChem CID 59288478) has the molecular formula C48H46OS6 and a molecular weight of 831.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID59288478
Molecular FormulaC48H46OS6
Molecular Weight831.30 g/mol
Exact Mass830.19
IUPAC Name2-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
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(Oc5ccc(-c6ccc(-c7ccc(-c8ccc(CCCCCC)s8)s7)s6)cc5)cc4)s3)s2)s1
InChIInChI=1S/C48H46OS6/c1-3-5-7-9-11-37-21-23-41(50-37)43-29-31-47(54-43)45-27-25-39(52-45)33-13-17-35(18-14-33)49-36-19-15-34(16-20-36)40-26-28-46(53-40)48-32-30-44(55-48)42-24-22-38(51-42)12-10-8-6-4-2/h13-32H,3-12H2,1-2H3
InChIKeyMIPHRWIFNYLBMC-UHFFFAOYSA-N
XLogP18.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.30
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 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

2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
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
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
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-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
CID 23432248
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
CID 58825538
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
7,17-bis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149902
[4-(5-octylthiophen-2-yl)phenyl] (2E,4E)-hexa-2,4-dienoate
CID 101164553

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(Oc5ccc(-c6ccc(-c7ccc(-c8ccc(CCCCCC)s8)s7)s6)cc5)cc4)s3)s2)s1.
What is the InChIKey of 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?
The InChIKey is MIPHRWIFNYLBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46OS6/c1-3-5-7-9-11-37-21-23-41(50-37)43-29-31-47(54-43)45-27-25-39(52-45)33-13-17-35(18-14-33)49-36-19-15-34(16-20-36)40-26-28-46(53-40)48-32-30-44(55-48)42-24-22-38(51-42)12-10-8-6-4-2/h13-32H,3-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 831.30 g/mol, XLogP of 18.10, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59288478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).