[5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone

C134H214O8S6 — CID 101419727

IUPAC[5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone
SMILESCCCCCCCCCCCCCCCCOc1cc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C(=O)c8cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c8)s7)s6)s5)s4)s3)s2)cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC
InChIInChI=1S/C134H214O8S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-103-137-115-109-113(110-116(138-104-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)133(115)141-107-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)131(135)129-101-99-127(147-129)125-97-95-123(145-125)121-93-91-119(143-121)120-92-94-122(144-120)124-96-98-126(146-124)128-100-102-130(148-128)132(136)114-111-117(139-105-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)134(142-108-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(112-114)140-106-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-102,109-112H,7-90,103-108H2,1-6H3
InChIKeyAHSJAYNUXVHITR-UHFFFAOYSA-N
MW2145.58 g/mol
LogP48.01
Rot. Bonds105

About [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone

[5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone (PubChem CID 101419727) has the molecular formula C134H214O8S6 and a molecular weight of 2145.58 g/mol. Its IUPAC name is [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone.

Molecular Properties

Compound Name[5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone
PubChem CID101419727
Molecular FormulaC134H214O8S6
Molecular Weight2145.58 g/mol
Exact Mass2143.47
IUPAC Name[5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone
SMILESCCCCCCCCCCCCCCCCOc1cc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C(=O)c8cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c8)s7)s6)s5)s4)s3)s2)cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC
InChIInChI=1S/C134H214O8S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-103-137-115-109-113(110-116(138-104-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)133(115)141-107-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)131(135)129-101-99-127(147-129)125-97-95-123(145-125)121-93-91-119(143-121)120-92-94-122(144-120)124-96-98-126(146-124)128-100-102-130(148-128)132(136)114-111-117(139-105-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)134(142-108-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(112-114)140-106-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-102,109-112H,7-90,103-108H2,1-6H3
InChIKeyAHSJAYNUXVHITR-UHFFFAOYSA-N
XLogP48.01
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds105
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.58
LogP ≤ 548.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone with MolForge

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Related Compounds

1-(3,4,5-triheptoxyphenyl)ethanone
CID 23127598
3,4,5-tri(dotriacontoxy)benzoic acid
CID 175251089
lithium 3,4,5-trioctadecoxybenzoate
CID 101159278
1,4-bis[5-[5-(3,4,5-tridodecoxyphenyl)thiophen-2-yl]thiophen-2-yl]-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 90450717
1-(3,4-didecoxyphenyl)-3-(3,4,5-trihexoxyphenyl)propane-1,3-dione
CID 102189036
1,3-bis(3,4,5-trihexadecoxyphenyl)urea
CID 86039677
propanoyl 3,4,5-trioctadecoxybenzenecarboperoxoate
CID 153328133
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
[4-[4-[4-[4-(3,4,5-tridodecoxybenzoyl)oxyphenyl]phenoxy]carbonylphenyl]phenyl] 3,4,5-tridodecoxybenzoate
CID 101268924
4-(3,4,5-trioctoxybenzoyl)oxybenzoic acid
CID 102424803
1-[(3,4,5-tris-decoxybenzoyl)amino]-3-[4-[[(3,4,5-tris-decoxybenzoyl)amino]carbamoylamino]phenyl]urea
CID 101135693
[3-[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl] 3,4,5-trihexadecoxybenzoate
CID 102491959

Frequently Asked Questions

What is the IUPAC name of [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone?
The IUPAC name of [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone (CID 101419727) is [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone.
What is the SMILES notation for [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone?
The canonical SMILES for [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone is CCCCCCCCCCCCCCCCOc1cc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C(=O)c8cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c8)s7)s6)s5)s4)s3)s2)cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC.
What is the InChIKey of [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone?
The InChIKey is AHSJAYNUXVHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H214O8S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-103-137-115-109-113(110-116(138-104-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)133(115)141-107-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)131(135)129-101-99-127(147-129)125-97-95-123(145-125)121-93-91-119(143-121)120-92-94-122(144-120)124-96-98-126(146-124)128-100-102-130(148-128)132(136)114-111-117(139-105-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)134(142-108-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(112-114)140-106-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-102,109-112H,7-90,103-108H2,1-6H3.
What are the key properties of [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone?
[5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone has a molecular weight of 2145.58 g/mol, XLogP of 48.01, 105 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[5-[5-[5-[5-(3,4,5-trihexadecoxybenzoyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-(3,4,5-trihexadecoxyphenyl)methanone is sourced from PubChem (CID 101419727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).