2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene

C57H72O — CID 102433648

IUPAC2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21
InChIInChI=1S/C57H72O/c1-6-10-14-20-36-56(37-21-15-11-7-2)52-25-19-18-24-48(52)49-34-29-45(41-53(49)56)46-30-35-51-50-33-28-44(43-26-31-47(58-5)32-27-43)40-54(50)57(55(51)42-46,38-22-16-12-8-3)39-23-17-13-9-4/h18-19,24-35,40-42H,6-17,20-23,36-39H2,1-5H3
InChIKeyXOLCZDXRSYZRKD-UHFFFAOYSA-N
MW773.20 g/mol
LogP17.44
Rot. Bonds23

About 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene

2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene (PubChem CID 102433648) has the molecular formula C57H72O and a molecular weight of 773.20 g/mol. Its IUPAC name is 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene.

Molecular Properties

Compound Name2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
PubChem CID102433648
Molecular FormulaC57H72O
Molecular Weight773.20 g/mol
Exact Mass772.56
IUPAC Name2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21
InChIInChI=1S/C57H72O/c1-6-10-14-20-36-56(37-21-15-11-7-2)52-25-19-18-24-48(52)49-34-29-45(41-53(49)56)46-30-35-51-50-33-28-44(43-26-31-47(58-5)32-27-43)40-54(50)57(55(51)42-46,38-22-16-12-8-3)39-23-17-13-9-4/h18-19,24-35,40-42H,6-17,20-23,36-39H2,1-5H3
InChIKeyXOLCZDXRSYZRKD-UHFFFAOYSA-N
XLogP17.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.20
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene with MolForge

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Related Compounds

9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
CID 101438381
CID 101438381
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
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
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-[ethyl(dimethyl)azaniumyl]propyl]fluoren-9-yl]propyl-ethyl-dimethylazanium
CID 101423085
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]-5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene
CID 137380526

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene?
The IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene (CID 102433648) is 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene.
What is the SMILES notation for 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene?
The canonical SMILES for 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21.
What is the InChIKey of 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene?
The InChIKey is XOLCZDXRSYZRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H72O/c1-6-10-14-20-36-56(37-21-15-11-7-2)52-25-19-18-24-48(52)49-34-29-45(41-53(49)56)46-30-35-51-50-33-28-44(43-26-31-47(58-5)32-27-43)40-54(50)57(55(51)42-46,38-22-16-12-8-3)39-23-17-13-9-4/h18-19,24-35,40-42H,6-17,20-23,36-39H2,1-5H3.
What are the key properties of 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene?
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene has a molecular weight of 773.20 g/mol, XLogP of 17.44, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene is sourced from PubChem (CID 102433648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).