2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane

C70H97NO4Si2 — CID 102443793

IUPAC2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
SMILESCCCCCCCCOc1cccc(OCCCCCCCC)c1C#Cc1cc(C#C[Si](C)(C)C)c2[nH]c3c(C#C[Si](C)(C)C)cc(C#Cc4c(OCCCCCCCC)cccc4OCCCCCCCC)cc3c2c1
InChIInChI=1S/C70H97NO4Si2/c1-11-15-19-23-27-31-47-72-65-37-35-38-66(73-48-32-28-24-20-16-12-2)61(65)43-41-57-53-59(45-51-76(5,6)7)69-63(55-57)64-56-58(54-60(70(64)71-69)46-52-77(8,9)10)42-44-62-67(74-49-33-29-25-21-17-13-3)39-36-40-68(62)75-50-34-30-26-22-18-14-4/h35-40,53-56,71H,11-34,47-50H2,1-10H3
InChIKeyCFKUUUXDWUBXLM-UHFFFAOYSA-N
MW1072.72 g/mol
LogP19.54
Rot. Bonds32

About 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane

2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane (PubChem CID 102443793) has the molecular formula C70H97NO4Si2 and a molecular weight of 1072.72 g/mol. Its IUPAC name is 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
PubChem CID102443793
Molecular FormulaC70H97NO4Si2
Molecular Weight1072.72 g/mol
Exact Mass1071.70
IUPAC Name2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
SMILESCCCCCCCCOc1cccc(OCCCCCCCC)c1C#Cc1cc(C#C[Si](C)(C)C)c2[nH]c3c(C#C[Si](C)(C)C)cc(C#Cc4c(OCCCCCCCC)cccc4OCCCCCCCC)cc3c2c1
InChIInChI=1S/C70H97NO4Si2/c1-11-15-19-23-27-31-47-72-65-37-35-38-66(73-48-32-28-24-20-16-12-2)61(65)43-41-57-53-59(45-51-76(5,6)7)69-63(55-57)64-56-58(54-60(70(64)71-69)46-52-77(8,9)10)42-44-62-67(74-49-33-29-25-21-17-13-3)39-36-40-68(62)75-50-34-30-26-22-18-14-4/h35-40,53-56,71H,11-34,47-50H2,1-10H3
InChIKeyCFKUUUXDWUBXLM-UHFFFAOYSA-N
XLogP19.54
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.72
LogP ≤ 519.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane 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

2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane
CID 102073656
2-[2,5-didodecoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 25231751
trimethyl-[2-(3,4,5-tridodecoxyphenyl)ethynyl]silane
CID 71375964
1-[2-[4-[2-[4,5-didodecoxy-2-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]-4,5-didodecoxy-2-(2-phenylethynyl)benzene
CID 102522534
4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]pyridine
CID 139089318
2-[10,20-bis(3,4,5-trihexadecoxyphenyl)-15-(2-trimethylsilylethynyl)-21,23-dihydroporphyrin-5-yl]ethynyl-trimethylsilane
CID 142714095
2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11132838
2-[4-[2-[4-[1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-[2,5-dipentoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethyl]phenyl]ethynyl]-2,5-dipentoxyphenyl]ethynyl-trimethylsilane
CID 102108776
2-[2-[4-[4,5-dioctoxy-2-[2-tri(propan-2-yl)silylethynyl]phenyl]buta-1,3-diynyl]-4,5-dioctoxyphenyl]ethynyl-tri(propan-2-yl)silane
CID 15528898
1,4-didodecoxy-2,5-bis[2-(4-ethynylphenyl)ethynyl]benzene
CID 166512403
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane (CID 102443793) is 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane is CCCCCCCCOc1cccc(OCCCCCCCC)c1C#Cc1cc(C#C[Si](C)(C)C)c2[nH]c3c(C#C[Si](C)(C)C)cc(C#Cc4c(OCCCCCCCC)cccc4OCCCCCCCC)cc3c2c1.
What is the InChIKey of 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane?
The InChIKey is CFKUUUXDWUBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H97NO4Si2/c1-11-15-19-23-27-31-47-72-65-37-35-38-66(73-48-32-28-24-20-16-12-2)61(65)43-41-57-53-59(45-51-76(5,6)7)69-63(55-57)64-56-58(54-60(70(64)71-69)46-52-77(8,9)10)42-44-62-67(74-49-33-29-25-21-17-13-3)39-36-40-68(62)75-50-34-30-26-22-18-14-4/h35-40,53-56,71H,11-34,47-50H2,1-10H3.
What are the key properties of 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane?
2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane has a molecular weight of 1072.72 g/mol, XLogP of 19.54, 32 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 102443793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).