9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene

C71H88 — CID 142821206

IUPAC9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
SMILESCCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C71H88/c1-5-9-13-17-21-33-49-70(48-32-20-16-12-8-4)64-42-30-28-36-56(64)58-46-44-54(52-66(58)70)68-60-38-24-26-40-62(60)69(63-41-27-25-39-61(63)68)55-45-47-59-57-37-29-31-43-65(57)71(67(59)53-55,50-34-22-18-14-10-6-2)51-35-23-19-15-11-7-3/h24-31,36-47,52-53H,5-23,32-35,48-51H2,1-4H3
InChIKeyRUTHPQGAEXSHEX-UHFFFAOYSA-N
MW941.48 g/mol
LogP22.47
Rot. Bonds29

About 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene

9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene (PubChem CID 142821206) has the molecular formula C71H88 and a molecular weight of 941.48 g/mol. Its IUPAC name is 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene.

Molecular Properties

Compound Name9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
PubChem CID142821206
Molecular FormulaC71H88
Molecular Weight941.48 g/mol
Exact Mass940.69
IUPAC Name9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
SMILESCCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C71H88/c1-5-9-13-17-21-33-49-70(48-32-20-16-12-8-4)64-42-30-28-36-56(64)58-46-44-54(52-66(58)70)68-60-38-24-26-40-62(60)69(63-41-27-25-39-61(63)68)55-45-47-59-57-37-29-31-43-65(57)71(67(59)53-55,50-34-22-18-14-10-6-2)51-35-23-19-15-11-7-3/h24-31,36-47,52-53H,5-23,32-35,48-51H2,1-4H3
InChIKeyRUTHPQGAEXSHEX-UHFFFAOYSA-N
XLogP22.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.48
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene 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

9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
carbanide;1-(9,9-dihexylfluoren-2-yl)naphthalen-2-ol;titanium(3+)
CID 59270127
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
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
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene?
The IUPAC name of 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene (CID 142821206) is 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene.
What is the SMILES notation for 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene?
The canonical SMILES for 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene is CCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene?
The InChIKey is RUTHPQGAEXSHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H88/c1-5-9-13-17-21-33-49-70(48-32-20-16-12-8-4)64-42-30-28-36-56(64)58-46-44-54(52-66(58)70)68-60-38-24-26-40-62(60)69(63-41-27-25-39-61(63)68)55-45-47-59-57-37-29-31-43-65(57)71(67(59)53-55,50-34-22-18-14-10-6-2)51-35-23-19-15-11-7-3/h24-31,36-47,52-53H,5-23,32-35,48-51H2,1-4H3.
What are the key properties of 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene?
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene has a molecular weight of 941.48 g/mol, XLogP of 22.47, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene is sourced from PubChem (CID 142821206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).