[6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol

C134H212O2S6Si2 — CID 140945764

IUPAC[6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCc1ccc(C(O)(c2ccc(CCCCCCCCCCCCCCCCCC)cc2)c2c(-c3cc4sc([Si](C(C)C)(C(C)C)C(C)C)cc4s3)sc3c(C(O)(c4ccc(CCCCCCCCCCCCCCCCCC)cc4)c4ccc(CCCCCCCCCCCCCCCCCC)cc4)c(-c4cc5sc([Si](C(C)C)(C(C)C)C(C)C)cc5s4)sc23)cc1
InChIInChI=1S/C134H212O2S6Si2/c1-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-111-85-93-115(94-86-111)133(135,116-95-87-112(88-96-116)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-2)127-129(123-101-119-121(137-123)103-125(139-119)143(105(5)6,106(7)8)107(9)10)141-132-128(130(142-131(127)132)124-102-120-122(138-124)104-126(140-120)144(108(11)12,109(13)14)110(15)16)134(136,117-97-89-113(90-98-117)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-3)118-99-91-114(92-100-118)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-4/h85-110,135-136H,17-84H2,1-16H3
InChIKeyJLKBKYOOYQJSTH-UHFFFAOYSA-N
MW2103.74 g/mol
LogP46.41
Rot. Bonds84

About [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol

[6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol (PubChem CID 140945764) has the molecular formula C134H212O2S6Si2 and a molecular weight of 2103.74 g/mol. Its IUPAC name is [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol.

Molecular Properties

Compound Name[6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol
PubChem CID140945764
Molecular FormulaC134H212O2S6Si2
Molecular Weight2103.74 g/mol
Exact Mass2101.44
IUPAC Name[6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCc1ccc(C(O)(c2ccc(CCCCCCCCCCCCCCCCCC)cc2)c2c(-c3cc4sc([Si](C(C)C)(C(C)C)C(C)C)cc4s3)sc3c(C(O)(c4ccc(CCCCCCCCCCCCCCCCCC)cc4)c4ccc(CCCCCCCCCCCCCCCCCC)cc4)c(-c4cc5sc([Si](C(C)C)(C(C)C)C(C)C)cc5s4)sc23)cc1
InChIInChI=1S/C134H212O2S6Si2/c1-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-111-85-93-115(94-86-111)133(135,116-95-87-112(88-96-116)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-2)127-129(123-101-119-121(137-123)103-125(139-119)143(105(5)6,106(7)8)107(9)10)141-132-128(130(142-131(127)132)124-102-120-122(138-124)104-126(140-120)144(108(11)12,109(13)14)110(15)16)134(136,117-97-89-113(90-98-117)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-3)118-99-91-114(92-100-118)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-4/h85-110,135-136H,17-84H2,1-16H3
InChIKeyJLKBKYOOYQJSTH-UHFFFAOYSA-N
XLogP46.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds84
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002103.74
LogP ≤ 546.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[6-[bis(3,5-diheptylphenyl)-hydroxymethyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(3,5-diheptylphenyl)methanol
CID 165373289
[2-[5-[3-[bis(4-hexylphenyl)-hydroxymethyl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]-bis(4-hexylphenyl)methanol;ethyl 2-[5-(3-ethoxycarbonylthiophen-2-yl)thieno[3,2-b]thiophen-2-yl]thiophene-3-carboxylate
CID 159316230
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443
1-tert-butyl-4-undecylbenzene
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2-[(E)-2-(4-hexylphenyl)ethenyl]-5-[2-[(E)-2-(4-hexylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophene
CID 102441712
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473
1-butyl-4-nonylbenzene
CID 59545302
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
2-(4-octylphenyl)benzo[f][1]benzothiole
CID 90049112
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
2-methyl-3-propan-2-yl-4-[6-[4-(trifluoromethyl)phenyl]hexyl]dodecan-3-ol
CID 151150657
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CID 67859464

Frequently Asked Questions

What is the IUPAC name of [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol?
The IUPAC name of [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol (CID 140945764) is [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol.
What is the SMILES notation for [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol?
The canonical SMILES for [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol is CCCCCCCCCCCCCCCCCCc1ccc(C(O)(c2ccc(CCCCCCCCCCCCCCCCCC)cc2)c2c(-c3cc4sc([Si](C(C)C)(C(C)C)C(C)C)cc4s3)sc3c(C(O)(c4ccc(CCCCCCCCCCCCCCCCCC)cc4)c4ccc(CCCCCCCCCCCCCCCCCC)cc4)c(-c4cc5sc([Si](C(C)C)(C(C)C)C(C)C)cc5s4)sc23)cc1.
What is the InChIKey of [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol?
The InChIKey is JLKBKYOOYQJSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H212O2S6Si2/c1-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-111-85-93-115(94-86-111)133(135,116-95-87-112(88-96-116)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-2)127-129(123-101-119-121(137-123)103-125(139-119)143(105(5)6,106(7)8)107(9)10)141-132-128(130(142-131(127)132)124-102-120-122(138-124)104-126(140-120)144(108(11)12,109(13)14)110(15)16)134(136,117-97-89-113(90-98-117)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-3)118-99-91-114(92-100-118)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-4/h85-110,135-136H,17-84H2,1-16H3.
What are the key properties of [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol?
[6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol has a molecular weight of 2103.74 g/mol, XLogP of 46.41, 84 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[hydroxy-bis(4-octadecylphenyl)methyl]-2,5-bis[5-tri(propan-2-yl)silylthieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-3-yl]-bis(4-octadecylphenyl)methanol is sourced from PubChem (CID 140945764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).