2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane

C73H82Si — CID 23730790

IUPAC2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane
SMILESC#Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(C#Cc3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C#Cc5ccc(-c6ccc(C#C[Si](C)(C)C)cc6)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C73H82Si/c1-9-14-18-22-47-72(48-23-19-15-10-2)68-52-56(13-5)34-42-64(68)65-44-36-60(54-69(65)72)28-29-61-37-45-67-66-43-35-59(53-70(66)73(71(67)55-61,49-24-20-16-11-3)50-25-21-17-12-4)27-26-57-30-38-62(39-31-57)63-40-32-58(33-41-63)46-51-74(6,7)8/h5,30-45,52-55H,9-12,14-25,47-50H2,1-4,6-8H3
InChIKeyORPSOTGBUQIXDI-UHFFFAOYSA-N
MW987.54 g/mol
LogP19.78
Rot. Bonds21

About 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane

2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane (PubChem CID 23730790) has the molecular formula C73H82Si and a molecular weight of 987.54 g/mol. Its IUPAC name is 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane
PubChem CID23730790
Molecular FormulaC73H82Si
Molecular Weight987.54 g/mol
Exact Mass986.62
IUPAC Name2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane
SMILESC#Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(C#Cc3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C#Cc5ccc(-c6ccc(C#C[Si](C)(C)C)cc6)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C73H82Si/c1-9-14-18-22-47-72(48-23-19-15-10-2)68-52-56(13-5)34-42-64(68)65-44-36-60(54-69(65)72)28-29-61-37-45-67-66-43-35-59(53-70(66)73(71(67)55-61,49-24-20-16-11-3)50-25-21-17-12-4)27-26-57-30-38-62(39-31-57)63-40-32-58(33-41-63)46-51-74(6,7)8/h5,30-45,52-55H,9-12,14-25,47-50H2,1-4,6-8H3
InChIKeyORPSOTGBUQIXDI-UHFFFAOYSA-N
XLogP19.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.54
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane with MolForge

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Related Compounds

2,7-bis[2-(4-ethynylphenyl)ethynyl]-9,9-dihexylfluorene
CID 101259666
N-[4-[9,9-dioctyl-7-(2-trimethylsilylethynyl)fluoren-2-yl]phenyl]-4-(4-hexoxyphenyl)-N-[4-(4-hexoxyphenyl)phenyl]aniline
CID 153392981
2-ethynyl-9,9-dioctylfluorene
CID 18442166
2,7-bis(buta-1,3-diynyl)-9,9-dihexylfluorene
CID 86231954
4-[7-(4-cyanophenyl)-9,9-dioctylfluoren-2-yl]benzonitrile
CID 102272670
2-[3,5-bis(7-ethynyl-9,9-dipropylfluoren-2-yl)phenyl]-7-ethynyl-9,9-dipropylfluorene
CID 58587187
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene
CID 102318982
2-(9,9-dihexadecylfluoren-2-yl)ethynyl-methylmercury
CID 177426764
2,8-bis[2-[9,9-dibutyl-7-[9,9-dibutyl-7-(9,9-dibutyl-7-iodofluoren-2-yl)fluoren-2-yl]fluoren-2-yl]ethynyl]dibenzothiophene 5,5-dioxide
CID 23625551
1-[2-[7-[2-[7-[2-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]pyrene
CID 23656651
9-[7-[2-[9,9-dibutyl-7-[2-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)ethynyl]fluoren-2-yl]ethynyl]-9,9-dihexylfluoren-2-yl]carbazole
CID 122203380

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane (CID 23730790) is 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane is C#Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(C#Cc3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C#Cc5ccc(-c6ccc(C#C[Si](C)(C)C)cc6)cc5)ccc3-4)ccc1-2.
What is the InChIKey of 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane?
The InChIKey is ORPSOTGBUQIXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H82Si/c1-9-14-18-22-47-72(48-23-19-15-10-2)68-52-56(13-5)34-42-64(68)65-44-36-60(54-69(65)72)28-29-61-37-45-67-66-43-35-59(53-70(66)73(71(67)55-61,49-24-20-16-11-3)50-25-21-17-12-4)27-26-57-30-38-62(39-31-57)63-40-32-58(33-41-63)46-51-74(6,7)8/h5,30-45,52-55H,9-12,14-25,47-50H2,1-4,6-8H3.
What are the key properties of 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane?
2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane has a molecular weight of 987.54 g/mol, XLogP of 19.78, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 23730790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).