[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

C118H180O2S6Si2 — CID 165373289

IUPAC[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
SMILESCCCCCCCc1cc(CCCCCCC)cc(C(O)(c2cc(CCCCCCC)cc(CCCCCCC)c2)c2c(-c3cc4sc([Si](C(C)C)(C(C)C)C(C)C)cc4s3)sc3c(C(O)(c4cc(CCCCCCC)cc(CCCCCCC)c4)c4cc(CCCCCCC)cc(CCCCCCC)c4)c(-c4cc5sc([Si](C(C)C)(C(C)C)C(C)C)cc5s4)sc23)c1
InChIInChI=1S/C118H180O2S6Si2/c1-21-29-37-45-53-61-91-69-92(62-54-46-38-30-22-2)74-99(73-91)117(119,100-75-93(63-55-47-39-31-23-3)70-94(76-100)64-56-48-40-32-24-4)111-113(107-81-103-105(121-107)83-109(123-103)127(85(9)10,86(11)12)87(13)14)125-116-112(114(126-115(111)116)108-82-104-106(122-108)84-110(124-104)128(88(15)16,89(17)18)90(19)20)118(120,101-77-95(65-57-49-41-33-25-5)71-96(78-101)66-58-50-42-34-26-6)102-79-97(67-59-51-43-35-27-7)72-98(80-102)68-60-52-44-36-28-8/h69-90,119-120H,21-68H2,1-20H3
InChIKeyKYRZFINDXRGZSK-UHFFFAOYSA-N
MW1879.31 g/mol
LogP39.29
Rot. Bonds64

About [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

[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 (PubChem CID 165373289) has the molecular formula C118H180O2S6Si2 and a molecular weight of 1879.31 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID165373289
Molecular FormulaC118H180O2S6Si2
Molecular Weight1879.31 g/mol
Exact Mass1877.18
IUPAC Name[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
SMILESCCCCCCCc1cc(CCCCCCC)cc(C(O)(c2cc(CCCCCCC)cc(CCCCCCC)c2)c2c(-c3cc4sc([Si](C(C)C)(C(C)C)C(C)C)cc4s3)sc3c(C(O)(c4cc(CCCCCCC)cc(CCCCCCC)c4)c4cc(CCCCCCC)cc(CCCCCCC)c4)c(-c4cc5sc([Si](C(C)C)(C(C)C)C(C)C)cc5s4)sc23)c1
InChIInChI=1S/C118H180O2S6Si2/c1-21-29-37-45-53-61-91-69-92(62-54-46-38-30-22-2)74-99(73-91)117(119,100-75-93(63-55-47-39-31-23-3)70-94(76-100)64-56-48-40-32-24-4)111-113(107-81-103-105(121-107)83-109(123-103)127(85(9)10,86(11)12)87(13)14)125-116-112(114(126-115(111)116)108-82-104-106(122-108)84-110(124-104)128(88(15)16,89(17)18)90(19)20)118(120,101-77-95(65-57-49-41-33-25-5)71-96(78-101)66-58-50-42-34-26-6)102-79-97(67-59-51-43-35-27-7)72-98(80-102)68-60-52-44-36-28-8/h69-90,119-120H,21-68H2,1-20H3
InChIKeyKYRZFINDXRGZSK-UHFFFAOYSA-N
XLogP39.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds64
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001879.31
LogP ≤ 539.29
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'}

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[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
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
[2-[3-(benzhydrylideneamino)thiophen-2-yl]thiophen-3-yl]-bis(3,5-dihexylphenyl)methanol
CID 166511302
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
5-pentyl-2-(2-pentylthieno[3,2-b]thiophen-5-yl)pyrimidine
CID 70491130
4,19-didodecyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene;[4,19-didodecyl-16-tri(propan-2-yl)silyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaen-7-yl]-tri(propan-2-yl)silane
CID 158027980
3,5-didecyl-1-propan-2-ylpyridin-1-ium
CID 69395739
3,5-dihexylbenzoic acid
CID 141246135

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCCCCCc1cc(CCCCCCC)cc(C(O)(c2cc(CCCCCCC)cc(CCCCCCC)c2)c2c(-c3cc4sc([Si](C(C)C)(C(C)C)C(C)C)cc4s3)sc3c(C(O)(c4cc(CCCCCCC)cc(CCCCCCC)c4)c4cc(CCCCCCC)cc(CCCCCCC)c4)c(-c4cc5sc([Si](C(C)C)(C(C)C)C(C)C)cc5s4)sc23)c1.
What is the InChIKey of [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?
The InChIKey is KYRZFINDXRGZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H180O2S6Si2/c1-21-29-37-45-53-61-91-69-92(62-54-46-38-30-22-2)74-99(73-91)117(119,100-75-93(63-55-47-39-31-23-3)70-94(76-100)64-56-48-40-32-24-4)111-113(107-81-103-105(121-107)83-109(123-103)127(85(9)10,86(11)12)87(13)14)125-116-112(114(126-115(111)116)108-82-104-106(122-108)84-110(124-104)128(88(15)16,89(17)18)90(19)20)118(120,101-77-95(65-57-49-41-33-25-5)71-96(78-101)66-58-50-42-34-26-6)102-79-97(67-59-51-43-35-27-7)72-98(80-102)68-60-52-44-36-28-8/h69-90,119-120H,21-68H2,1-20H3.
What are the key properties of [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?
[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 has a molecular weight of 1879.31 g/mol, XLogP of 39.29, 64 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 165373289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).