[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate

C158H142O22S5 — CID 101263308

IUPAC[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
SMILESCCCCCCCCc1cc(-c2ccc(-c3ccc(C(=O)OCc4cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)s3)s2)sc1-c1ccc(-c2ccc(-c3cc(COc4cc(CO)cc(CO)c4)cc(COc4cc(CO)cc(CO)c4)c3)s2)s1
InChIInChI=1S/C158H142O22S5/c1-2-3-4-5-6-31-48-130-80-156(185-157(130)154-55-53-151(183-154)149-50-49-148(181-149)131-60-121(100-172-132-62-117(88-159)57-118(63-132)89-160)59-122(61-131)101-173-133-64-119(90-161)58-120(65-133)91-162)153-52-51-150(182-153)152-54-56-155(184-152)158(163)180-108-129-78-146(178-106-127-74-142(174-102-123-66-134(164-92-109-32-15-7-16-33-109)81-135(67-123)165-93-110-34-17-8-18-35-110)85-143(75-127)175-103-124-68-136(166-94-111-36-19-9-20-37-111)82-137(69-124)167-95-112-38-21-10-22-39-112)87-147(79-129)179-107-128-76-144(176-104-125-70-138(168-96-113-40-23-11-24-41-113)83-139(71-125)169-97-114-42-25-12-26-43-114)86-145(77-128)177-105-126-72-140(170-98-115-44-27-13-28-45-115)84-141(73-126)171-99-116-46-29-14-30-47-116/h7-30,32-47,49-87,159-162H,2-6,31,48,88-108H2,1H3
InChIKeyQTCXTOIRSYHIRT-UHFFFAOYSA-N
MW2553.19 g/mol
LogP37.82
Rot. Bonds67

About [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate

[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate (PubChem CID 101263308) has the molecular formula C158H142O22S5 and a molecular weight of 2553.19 g/mol. Its IUPAC name is [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Name[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
PubChem CID101263308
Molecular FormulaC158H142O22S5
Molecular Weight2553.19 g/mol
Exact Mass2550.86
IUPAC Name[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
SMILESCCCCCCCCc1cc(-c2ccc(-c3ccc(C(=O)OCc4cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)s3)s2)sc1-c1ccc(-c2ccc(-c3cc(COc4cc(CO)cc(CO)c4)cc(COc4cc(CO)cc(CO)c4)c3)s2)s1
InChIInChI=1S/C158H142O22S5/c1-2-3-4-5-6-31-48-130-80-156(185-157(130)154-55-53-151(183-154)149-50-49-148(181-149)131-60-121(100-172-132-62-117(88-159)57-118(63-132)89-160)59-122(61-131)101-173-133-64-119(90-161)58-120(65-133)91-162)153-52-51-150(182-153)152-54-56-155(184-152)158(163)180-108-129-78-146(178-106-127-74-142(174-102-123-66-134(164-92-109-32-15-7-16-33-109)81-135(67-123)165-93-110-34-17-8-18-35-110)85-143(75-127)175-103-124-68-136(166-94-111-36-19-9-20-37-111)82-137(69-124)167-95-112-38-21-10-22-39-112)87-147(79-129)179-107-128-76-144(176-104-125-70-138(168-96-113-40-23-11-24-41-113)83-139(71-125)169-97-114-42-25-12-26-43-114)86-145(77-128)177-105-126-72-140(170-98-115-44-27-13-28-45-115)84-141(73-126)171-99-116-46-29-14-30-47-116/h7-30,32-47,49-87,159-162H,2-6,31,48,88-108H2,1H3
InChIKeyQTCXTOIRSYHIRT-UHFFFAOYSA-N
XLogP37.82
TPSA254.90 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds67
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.19
LogP ≤ 537.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate with MolForge

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Related Compounds

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benzyl 2-[2,5-bis[4-octyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetate
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benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecyl-5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
CID 135079304
benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
CID 100989971
benzyl 3-hexyl-5-(3-hexyl-5-iodothiophen-2-yl)thiophene-2-carboxylate
CID 11387782
2-(2-methylprop-2-enoyloxy)ethyl 5-[4-hexyl-5-[4-hexyl-5-[4-hexyl-5-[5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
CID 58978180
3-hexyl-2-[5-[5-[4-hexyl-5-[4-hexyl-5-[5-[5-(4-hexyl-5-phenylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 59515125
2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate
CID 102150604
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylphenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 88975831
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
benzyl 3-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-octadecoxybenzoate
CID 15233477

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?
The IUPAC name of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate (CID 101263308) is [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?
The canonical SMILES for [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate is CCCCCCCCc1cc(-c2ccc(-c3ccc(C(=O)OCc4cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)s3)s2)sc1-c1ccc(-c2ccc(-c3cc(COc4cc(CO)cc(CO)c4)cc(COc4cc(CO)cc(CO)c4)c3)s2)s1.
What is the InChIKey of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?
The InChIKey is QTCXTOIRSYHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C158H142O22S5/c1-2-3-4-5-6-31-48-130-80-156(185-157(130)154-55-53-151(183-154)149-50-49-148(181-149)131-60-121(100-172-132-62-117(88-159)57-118(63-132)89-160)59-122(61-131)101-173-133-64-119(90-161)58-120(65-133)91-162)153-52-51-150(182-153)152-54-56-155(184-152)158(163)180-108-129-78-146(178-106-127-74-142(174-102-123-66-134(164-92-109-32-15-7-16-33-109)81-135(67-123)165-93-110-34-17-8-18-35-110)85-143(75-127)175-103-124-68-136(166-94-111-36-19-9-20-37-111)82-137(69-124)167-95-112-38-21-10-22-39-112)87-147(79-129)179-107-128-76-144(176-104-125-70-138(168-96-113-40-23-11-24-41-113)83-139(71-125)169-97-114-42-25-12-26-43-114)86-145(77-128)177-105-126-72-140(170-98-115-44-27-13-28-45-115)84-141(73-126)171-99-116-46-29-14-30-47-116/h7-30,32-47,49-87,159-162H,2-6,31,48,88-108H2,1H3.
What are the key properties of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate has a molecular weight of 2553.19 g/mol, XLogP of 37.82, 67 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl 5-[5-[5-[5-[5-[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 101263308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).