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

C152H171FS20 — CID 157282675

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;hydrofluoride

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 (PubChem CID 157282675) has the molecular formula C152H171FS20 and a molecular weight of 2658.38 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;hydrofluoride.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157282675
• Molecular Formula: C152H171FS20
• Molecular Weight: 2658.38 g/mol
• Exact Mass: 2654.78
• IUPAC Name: 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
• SMILES: 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.F
• InChI: InChI=1S/C152H170S20.FH/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;1H
• InChIKey: AZVRTAWLBPZIBM-UHFFFAOYSA-N
• XLogP: 59.30
• TPSA: 0.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 71
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2658.38
LogP ≤ 5	59.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

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;hydrofluoride?

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;hydrofluoride (CID 157282675) 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;hydrofluoride.

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;hydrofluoride?

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;hydrofluoride 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.F.

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;hydrofluoride?

The InChIKey is AZVRTAWLBPZIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H170S20.FH/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;1H.

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;hydrofluoride?

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 has a molecular weight of 2658.38 g/mol, XLogP of 59.30, 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;hydrofluoride is sourced from PubChem (CID 157282675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).