4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol

C56H70O — CID 102433649

IUPAC4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(O)cc5)ccc3-4)cc21
InChIInChI=1S/C56H70O/c1-5-9-13-19-35-55(36-20-14-10-6-2)51-24-18-17-23-47(51)48-33-28-44(40-52(48)55)45-29-34-50-49-32-27-43(42-25-30-46(57)31-26-42)39-53(49)56(54(50)41-45,37-21-15-11-7-3)38-22-16-12-8-4/h17-18,23-34,39-41,57H,5-16,19-22,35-38H2,1-4H3
InChIKeyCSMLPJHXIUWQQP-UHFFFAOYSA-N
MW759.17 g/mol
LogP17.14
Rot. Bonds22

About 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol

4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol (PubChem CID 102433649) has the molecular formula C56H70O and a molecular weight of 759.17 g/mol. Its IUPAC name is 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
PubChem CID102433649
Molecular FormulaC56H70O
Molecular Weight759.17 g/mol
Exact Mass758.54
IUPAC Name4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(O)cc5)ccc3-4)cc21
InChIInChI=1S/C56H70O/c1-5-9-13-19-35-55(36-20-14-10-6-2)51-24-18-17-23-47(51)48-33-28-44(40-52(48)55)45-29-34-50-49-32-27-43(42-25-30-46(57)31-26-42)39-53(49)56(54(50)41-45,37-21-15-11-7-3)38-22-16-12-8-4/h17-18,23-34,39-41,57H,5-16,19-22,35-38H2,1-4H3
InChIKeyCSMLPJHXIUWQQP-UHFFFAOYSA-N
XLogP17.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.17
LogP ≤ 517.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol with MolForge

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Related Compounds

4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
4-(9,9-dihexylfluoren-1-yl)phenol
CID 174851586
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302

Frequently Asked Questions

What is the IUPAC name of 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol?
The IUPAC name of 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol (CID 102433649) is 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol.
What is the SMILES notation for 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol?
The canonical SMILES for 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(O)cc5)ccc3-4)cc21.
What is the InChIKey of 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol?
The InChIKey is CSMLPJHXIUWQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H70O/c1-5-9-13-19-35-55(36-20-14-10-6-2)51-24-18-17-23-47(51)48-33-28-44(40-52(48)55)45-29-34-50-49-32-27-43(42-25-30-46(57)31-26-42)39-53(49)56(54(50)41-45,37-21-15-11-7-3)38-22-16-12-8-4/h17-18,23-34,39-41,57H,5-16,19-22,35-38H2,1-4H3.
What are the key properties of 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol?
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol has a molecular weight of 759.17 g/mol, XLogP of 17.14, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol is sourced from PubChem (CID 102433649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).