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

C196H316S13 — CID 100961610

IUPAC3-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
SMILESCCCCCCCCCCCCCCCCCCc1ccsc1-c1cc(CCCCCCCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4sc(-c5sc(-c6ccc(-c7cc(CCCCCCCCCCCCCCCCCC)c(-c8cc(CCCCCCCCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sc(-c%12sccc%12CCCCCCCCCCCCCCCCCC)cc%11CCCCCCCCCCCCCCCCCC)s%10)s9)s8)s7)s6)cc5CCCCCCCCCCCCCCCCCC)cc4CCCCCCCCCCCCCCCCCC)s3)s2)s1
InChIInChI=1S/C196H316S13/c1-9-17-25-33-41-49-57-65-73-81-89-97-105-113-121-129-137-165-155-157-197-189(165)185-161-169(141-133-125-117-109-101-93-85-77-69-61-53-45-37-29-21-13-5)191(206-185)179-151-147-173(200-179)175-149-153-181(202-175)193-171(143-135-127-119-111-103-95-87-79-71-63-55-47-39-31-23-15-7)163-187(208-193)195-167(139-131-123-115-107-99-91-83-75-67-59-51-43-35-27-19-11-3)159-183(204-195)177-145-146-178(199-177)184-160-168(140-132-124-116-108-100-92-84-76-68-60-52-44-36-28-20-12-4)196(205-184)188-164-172(144-136-128-120-112-104-96-88-80-72-64-56-48-40-32-24-16-8)194(209-188)182-154-150-176(203-182)174-148-152-180(201-174)192-170(142-134-126-118-110-102-94-86-78-70-62-54-46-38-30-22-14-6)162-186(207-192)190-166(156-158-198-190)138-130-122-114-106-98-90-82-74-66-58-50-42-34-26-18-10-2/h145-164H,9-144H2,1-8H3
InChIKeyDXGQCKZMOXGTLR-UHFFFAOYSA-N
MW3089.55 g/mol
LogP76.92
Rot. Bonds148

About 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

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 (PubChem CID 100961610) has the molecular formula C196H316S13 and a molecular weight of 3089.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID100961610
Molecular FormulaC196H316S13
Molecular Weight3089.55 g/mol
Exact Mass3086.11
IUPAC Name3-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
SMILESCCCCCCCCCCCCCCCCCCc1ccsc1-c1cc(CCCCCCCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4sc(-c5sc(-c6ccc(-c7cc(CCCCCCCCCCCCCCCCCC)c(-c8cc(CCCCCCCCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sc(-c%12sccc%12CCCCCCCCCCCCCCCCCC)cc%11CCCCCCCCCCCCCCCCCC)s%10)s9)s8)s7)s6)cc5CCCCCCCCCCCCCCCCCC)cc4CCCCCCCCCCCCCCCCCC)s3)s2)s1
InChIInChI=1S/C196H316S13/c1-9-17-25-33-41-49-57-65-73-81-89-97-105-113-121-129-137-165-155-157-197-189(165)185-161-169(141-133-125-117-109-101-93-85-77-69-61-53-45-37-29-21-13-5)191(206-185)179-151-147-173(200-179)175-149-153-181(202-175)193-171(143-135-127-119-111-103-95-87-79-71-63-55-47-39-31-23-15-7)163-187(208-193)195-167(139-131-123-115-107-99-91-83-75-67-59-51-43-35-27-19-11-3)159-183(204-195)177-145-146-178(199-177)184-160-168(140-132-124-116-108-100-92-84-76-68-60-52-44-36-28-20-12-4)196(205-184)188-164-172(144-136-128-120-112-104-96-88-80-72-64-56-48-40-32-24-16-8)194(209-188)182-154-150-176(203-182)174-148-152-180(201-174)192-170(142-134-126-118-110-102-94-86-78-70-62-54-46-38-30-22-14-6)162-186(207-192)190-166(156-158-198-190)138-130-122-114-106-98-90-82-74-66-58-50-42-34-26-18-10-2/h145-164H,9-144H2,1-8H3
InChIKeyDXGQCKZMOXGTLR-UHFFFAOYSA-N
XLogP76.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds148
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003089.55
LogP ≤ 576.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 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
CID 58159360
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-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
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
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
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CID 11513597
3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-iodothiophene
CID 86090497
[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
3-hexyl-2-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-5-(3-hexylthiophen-2-yl)thiophene
CID 10818171
3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene
CID 102479833

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCCCCCCc1ccsc1-c1cc(CCCCCCCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4sc(-c5sc(-c6ccc(-c7cc(CCCCCCCCCCCCCCCCCC)c(-c8cc(CCCCCCCCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sc(-c%12sccc%12CCCCCCCCCCCCCCCCCC)cc%11CCCCCCCCCCCCCCCCCC)s%10)s9)s8)s7)s6)cc5CCCCCCCCCCCCCCCCCC)cc4CCCCCCCCCCCCCCCCCC)s3)s2)s1.
What is the InChIKey of 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?
The InChIKey is DXGQCKZMOXGTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C196H316S13/c1-9-17-25-33-41-49-57-65-73-81-89-97-105-113-121-129-137-165-155-157-197-189(165)185-161-169(141-133-125-117-109-101-93-85-77-69-61-53-45-37-29-21-13-5)191(206-185)179-151-147-173(200-179)175-149-153-181(202-175)193-171(143-135-127-119-111-103-95-87-79-71-63-55-47-39-31-23-15-7)163-187(208-193)195-167(139-131-123-115-107-99-91-83-75-67-59-51-43-35-27-19-11-3)159-183(204-195)177-145-146-178(199-177)184-160-168(140-132-124-116-108-100-92-84-76-68-60-52-44-36-28-20-12-4)196(205-184)188-164-172(144-136-128-120-112-104-96-88-80-72-64-56-48-40-32-24-16-8)194(209-188)182-154-150-176(203-182)174-148-152-180(201-174)192-170(142-134-126-118-110-102-94-86-78-70-62-54-46-38-30-22-14-6)162-186(207-192)190-166(156-158-198-190)138-130-122-114-106-98-90-82-74-66-58-50-42-34-26-18-10-2/h145-164H,9-144H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 3089.55 g/mol, XLogP of 76.92, 148 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 100961610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).