4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C180H92S45 — CID 102469985

IUPAC4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESc1csc(-c2cc(-c3ccc(-c4cc(-c5ccc(-c6scc(-c7ccc(-c8ccsc8-c8ccc(-c9csc(-c%10ccc(-c%11cc(-c%12ccc(-c%13cc(-c%14cccs%14)c(-c%14cccs%14)s%13)s%12)c(-c%12ccc(-c%13cc(-c%14cccs%14)c(-c%14cccs%14)s%13)s%12)s%11)s%10)c9-c9ccc(-c%10cc(-c%11ccc(-c%12cc(-c%13cccs%13)c(-c%13cccs%13)s%12)s%11)c(-c%11ccc(-c%12cc(-c%13cccs%13)c(-c%13cccs%13)s%12)s%11)s%10)s9)s8)s7)c6-c6ccc(-c7cc(-c8ccc(-c9cc(-c%10cccs%10)c(-c%10cccs%10)s9)s8)c(-c8ccc(-c9cc(-c%10cccs%10)c(-c%10cccs%10)s9)s8)s7)s6)s5)sc4-c4ccc(-c5cc(-c6cccs6)c(-c6cccs6)s5)s4)s3)sc2-c2cccs2)c1
InChIInChI=1S/C180H92S45/c1-17-108(181-62-1)94-79-152(214-167(94)137-25-9-70-189-137)123-40-35-117(201-123)102-87-160(222-175(102)146-55-46-129(208-146)156-83-98(112-21-5-66-185-112)171(218-156)141-29-13-74-193-141)127-44-52-135(206-127)164-106(91-198-179(164)150-59-50-133(212-150)162-89-104(119-37-42-125(203-119)154-81-96(110-19-3-64-183-110)169(216-154)139-27-11-72-191-139)177(224-162)148-57-48-131(210-148)158-85-100(114-23-7-68-187-114)173(220-158)143-31-15-76-195-143)121-34-33-116(200-121)93-61-78-197-166(93)145-54-39-122(205-145)107-92-199-180(151-60-51-134(213-151)163-90-105(120-38-43-126(204-120)155-82-97(111-20-4-65-184-111)170(217-155)140-28-12-73-192-140)178(225-163)149-58-49-132(211-149)159-86-101(115-24-8-69-188-115)174(221-159)144-32-16-77-196-144)165(107)136-53-45-128(207-136)161-88-103(118-36-41-124(202-118)153-80-95(109-18-2-63-182-109)168(215-153)138-26-10-71-190-138)176(223-161)147-56-47-130(209-147)157-84-99(113-22-6-67-186-113)172(219-157)142-30-14-75-194-142/h1-92H
InChIKeyYMHPMRUYKRGKAY-UHFFFAOYSA-N
MW3697.73 g/mol
LogP77.80
Rot. Bonds44

About 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 102469985) has the molecular formula C180H92S45 and a molecular weight of 3697.73 g/mol. Its IUPAC name is 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID102469985
Molecular FormulaC180H92S45
Molecular Weight3697.73 g/mol
Exact Mass3691.46
IUPAC Name4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESc1csc(-c2cc(-c3ccc(-c4cc(-c5ccc(-c6scc(-c7ccc(-c8ccsc8-c8ccc(-c9csc(-c%10ccc(-c%11cc(-c%12ccc(-c%13cc(-c%14cccs%14)c(-c%14cccs%14)s%13)s%12)c(-c%12ccc(-c%13cc(-c%14cccs%14)c(-c%14cccs%14)s%13)s%12)s%11)s%10)c9-c9ccc(-c%10cc(-c%11ccc(-c%12cc(-c%13cccs%13)c(-c%13cccs%13)s%12)s%11)c(-c%11ccc(-c%12cc(-c%13cccs%13)c(-c%13cccs%13)s%12)s%11)s%10)s9)s8)s7)c6-c6ccc(-c7cc(-c8ccc(-c9cc(-c%10cccs%10)c(-c%10cccs%10)s9)s8)c(-c8ccc(-c9cc(-c%10cccs%10)c(-c%10cccs%10)s9)s8)s7)s6)s5)sc4-c4ccc(-c5cc(-c6cccs6)c(-c6cccs6)s5)s4)s3)sc2-c2cccs2)c1
InChIInChI=1S/C180H92S45/c1-17-108(181-62-1)94-79-152(214-167(94)137-25-9-70-189-137)123-40-35-117(201-123)102-87-160(222-175(102)146-55-46-129(208-146)156-83-98(112-21-5-66-185-112)171(218-156)141-29-13-74-193-141)127-44-52-135(206-127)164-106(91-198-179(164)150-59-50-133(212-150)162-89-104(119-37-42-125(203-119)154-81-96(110-19-3-64-183-110)169(216-154)139-27-11-72-191-139)177(224-162)148-57-48-131(210-148)158-85-100(114-23-7-68-187-114)173(220-158)143-31-15-76-195-143)121-34-33-116(200-121)93-61-78-197-166(93)145-54-39-122(205-145)107-92-199-180(151-60-51-134(213-151)163-90-105(120-38-43-126(204-120)155-82-97(111-20-4-65-184-111)170(217-155)140-28-12-73-192-140)178(225-163)149-58-49-132(211-149)159-86-101(115-24-8-69-188-115)174(221-159)144-32-16-77-196-144)165(107)136-53-45-128(207-136)161-88-103(118-36-41-124(202-118)153-80-95(109-18-2-63-182-109)168(215-153)138-26-10-71-190-138)176(223-161)147-56-47-130(209-147)157-84-99(113-22-6-67-186-113)172(219-157)142-30-14-75-194-142/h1-92H
InChIKeyYMHPMRUYKRGKAY-UHFFFAOYSA-N
XLogP77.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds44
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003697.73
LogP ≤ 577.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

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Related Compounds

2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane
CID 102469982
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene
CID 101001303
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
3,4-diphenyl-2-thiophen-2-ylthiophene
CID 90930484
[5-[3-[5-[3-[5-[5-[5-[2,5-bis[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 176528085
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
CID 177465253

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 102469985) is 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is c1csc(-c2cc(-c3ccc(-c4cc(-c5ccc(-c6scc(-c7ccc(-c8ccsc8-c8ccc(-c9csc(-c%10ccc(-c%11cc(-c%12ccc(-c%13cc(-c%14cccs%14)c(-c%14cccs%14)s%13)s%12)c(-c%12ccc(-c%13cc(-c%14cccs%14)c(-c%14cccs%14)s%13)s%12)s%11)s%10)c9-c9ccc(-c%10cc(-c%11ccc(-c%12cc(-c%13cccs%13)c(-c%13cccs%13)s%12)s%11)c(-c%11ccc(-c%12cc(-c%13cccs%13)c(-c%13cccs%13)s%12)s%11)s%10)s9)s8)s7)c6-c6ccc(-c7cc(-c8ccc(-c9cc(-c%10cccs%10)c(-c%10cccs%10)s9)s8)c(-c8ccc(-c9cc(-c%10cccs%10)c(-c%10cccs%10)s9)s8)s7)s6)s5)sc4-c4ccc(-c5cc(-c6cccs6)c(-c6cccs6)s5)s4)s3)sc2-c2cccs2)c1.
What is the InChIKey of 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is YMHPMRUYKRGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H92S45/c1-17-108(181-62-1)94-79-152(214-167(94)137-25-9-70-189-137)123-40-35-117(201-123)102-87-160(222-175(102)146-55-46-129(208-146)156-83-98(112-21-5-66-185-112)171(218-156)141-29-13-74-193-141)127-44-52-135(206-127)164-106(91-198-179(164)150-59-50-133(212-150)162-89-104(119-37-42-125(203-119)154-81-96(110-19-3-64-183-110)169(216-154)139-27-11-72-191-139)177(224-162)148-57-48-131(210-148)158-85-100(114-23-7-68-187-114)173(220-158)143-31-15-76-195-143)121-34-33-116(200-121)93-61-78-197-166(93)145-54-39-122(205-145)107-92-199-180(151-60-51-134(213-151)163-90-105(120-38-43-126(204-120)155-82-97(111-20-4-65-184-111)170(217-155)140-28-12-73-192-140)178(225-163)149-58-49-132(211-149)159-86-101(115-24-8-69-188-115)174(221-159)144-32-16-77-196-144)165(107)136-53-45-128(207-136)161-88-103(118-36-41-124(202-118)153-80-95(109-18-2-63-182-109)168(215-153)138-26-10-71-190-138)176(223-161)147-56-47-130(209-147)157-84-99(113-22-6-67-186-113)172(219-157)142-30-14-75-194-142/h1-92H.
What are the key properties of 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 3697.73 g/mol, XLogP of 77.80, 44 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 102469985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).