5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene

C152H170S20 — CID 58159360

IUPAC5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
SMILESCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(-c5cc(CCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCC)s7)s6)s5)cc(-c5cc(CCCCCC)c(-c6ccc(-c7ccc(-c8sc(-c9cc(-c%10cc(CCCCCC)c(-c%11ccc(-c%12ccc(-c%13sccc%13CCCCCC)s%12)s%11)s%10)cc(-c%10cc(CCCCCC)c(-c%11ccc(-c%12ccc(-c%13sccc%13CCCCCC)s%12)s%11)s%10)c9)cc8CCCCCC)s7)s6)s5)c4)cc3CCCCCC)s2)s1
InChIInChI=1S/C152H170S20/c1-11-21-31-41-51-101-81-85-153-143(101)127-71-61-117(157-127)121-65-75-131(161-121)147-105(55-45-35-25-15-5)95-137(167-147)111-89-112(138-96-106(56-46-36-26-16-6)148(168-138)132-76-66-122(162-132)118-62-72-128(158-118)144-102(82-86-154-144)52-42-32-22-12-2)92-115(91-111)141-99-109(59-49-39-29-19-9)151(171-141)135-79-69-125(165-135)126-70-80-136(166-126)152-110(60-50-40-30-20-10)100-142(172-152)116-93-113(139-97-107(57-47-37-27-17-7)149(169-139)133-77-67-123(163-133)119-63-73-129(159-119)145-103(83-87-155-145)53-43-33-23-13-3)90-114(94-116)140-98-108(58-48-38-28-18-8)150(170-140)134-78-68-124(164-134)120-64-74-130(160-120)146-104(84-88-156-146)54-44-34-24-14-4/h61-100H,11-60H2,1-10H3
InChIKeyMDKPKUZUQYZERN-UHFFFAOYSA-N
MW2638.37 g/mol
LogP59.15
Rot. Bonds71

About 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene

5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene (PubChem CID 58159360) has the molecular formula C152H170S20 and a molecular weight of 2638.37 g/mol. Its IUPAC name is 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene.

Molecular Properties

Compound Name5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
PubChem CID58159360
Molecular FormulaC152H170S20
Molecular Weight2638.37 g/mol
Exact Mass2634.77
IUPAC Name5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
SMILESCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(-c5cc(CCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCC)s7)s6)s5)cc(-c5cc(CCCCCC)c(-c6ccc(-c7ccc(-c8sc(-c9cc(-c%10cc(CCCCCC)c(-c%11ccc(-c%12ccc(-c%13sccc%13CCCCCC)s%12)s%11)s%10)cc(-c%10cc(CCCCCC)c(-c%11ccc(-c%12ccc(-c%13sccc%13CCCCCC)s%12)s%11)s%10)c9)cc8CCCCCC)s7)s6)s5)c4)cc3CCCCCC)s2)s1
InChIInChI=1S/C152H170S20/c1-11-21-31-41-51-101-81-85-153-143(101)127-71-61-117(157-127)121-65-75-131(161-121)147-105(55-45-35-25-15-5)95-137(167-147)111-89-112(138-96-106(56-46-36-26-16-6)148(168-138)132-76-66-122(162-132)118-62-72-128(158-118)144-102(82-86-154-144)52-42-32-22-12-2)92-115(91-111)141-99-109(59-49-39-29-19-9)151(171-141)135-79-69-125(165-135)126-70-80-136(166-126)152-110(60-50-40-30-20-10)100-142(172-152)116-93-113(139-97-107(57-47-37-27-17-7)149(169-139)133-77-67-123(163-133)119-63-73-129(159-119)145-103(83-87-155-145)53-43-33-23-13-3)90-114(94-116)140-98-108(58-48-38-28-18-8)150(170-140)134-78-68-124(164-134)120-64-74-130(160-120)146-104(84-88-156-146)54-44-34-24-14-4/h61-100H,11-60H2,1-10H3
InChIKeyMDKPKUZUQYZERN-UHFFFAOYSA-N
XLogP59.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds71
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002638.37
LogP ≤ 559.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene with MolForge

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Related Compounds

5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene;hydrofluoride
CID 157282675
3-octadecyl-5-[3-octadecyl-5-[5-[4-octadecyl-5-[4-octadecyl-5-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 100961610
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
3-hexyl-2-[4-hexyl-5-[5-[5-(4-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 59515123
triethoxy-[4-octyl-5-[5-[5-[3-octyl-5-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane
CID 59482908
9-ethyl-3,6-bis[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 59288572
3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 11513597
3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-iodothiophene
CID 86090497
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
[4-dodecyl-5-[5-[5-(3-dodecyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane;2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
CID 158616925
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene?
The IUPAC name of 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene (CID 58159360) is 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene.
What is the SMILES notation for 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene?
The canonical SMILES for 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene is CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(-c5cc(CCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCC)s7)s6)s5)cc(-c5cc(CCCCCC)c(-c6ccc(-c7ccc(-c8sc(-c9cc(-c%10cc(CCCCCC)c(-c%11ccc(-c%12ccc(-c%13sccc%13CCCCCC)s%12)s%11)s%10)cc(-c%10cc(CCCCCC)c(-c%11ccc(-c%12ccc(-c%13sccc%13CCCCCC)s%12)s%11)s%10)c9)cc8CCCCCC)s7)s6)s5)c4)cc3CCCCCC)s2)s1.
What is the InChIKey of 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene?
The InChIKey is MDKPKUZUQYZERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H170S20/c1-11-21-31-41-51-101-81-85-153-143(101)127-71-61-117(157-127)121-65-75-131(161-121)147-105(55-45-35-25-15-5)95-137(167-147)111-89-112(138-96-106(56-46-36-26-16-6)148(168-138)132-76-66-122(162-132)118-62-72-128(158-118)144-102(82-86-154-144)52-42-32-22-12-2)92-115(91-111)141-99-109(59-49-39-29-19-9)151(171-141)135-79-69-125(165-135)126-70-80-136(166-126)152-110(60-50-40-30-20-10)100-142(172-152)116-93-113(139-97-107(57-47-37-27-17-7)149(169-139)133-77-67-123(163-133)119-63-73-129(159-119)145-103(83-87-155-145)53-43-33-23-13-3)90-114(94-116)140-98-108(58-48-38-28-18-8)150(170-140)134-78-68-124(164-134)120-64-74-130(160-120)146-104(84-88-156-146)54-44-34-24-14-4/h61-100H,11-60H2,1-10H3.
What are the key properties of 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene?
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene has a molecular weight of 2638.37 g/mol, XLogP of 59.15, 71 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene is sourced from PubChem (CID 58159360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).