8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene

C61H64F2 — CID 154724302

IUPAC8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene
SMILESCCCCCCCCCCC1(CCCCCCC(CCC)c2cc(-c3ccc(F)cc3)c3c(c2-c2ccc(F)cc2)-c2cccc4cccc-3c24)c2ccccc2-c2ccccc21
InChIInChI=1S/C61H64F2/c1-3-5-6-7-8-9-11-18-40-61(55-30-16-14-26-49(55)50-27-15-17-31-56(50)61)41-19-12-10-13-23-43(22-4-2)53-42-54(44-32-36-47(62)37-33-44)59-51-28-20-24-45-25-21-29-52(57(45)51)60(59)58(53)46-34-38-48(63)39-35-46/h14-17,20-21,24-39,42-43H,3-13,18-19,22-23,40-41H2,1-2H3
InChIKeyGDEAHUFXOUDIFE-UHFFFAOYSA-N
MW835.18 g/mol
LogP18.82
Rot. Bonds21

About 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene

8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene (PubChem CID 154724302) has the molecular formula C61H64F2 and a molecular weight of 835.18 g/mol. Its IUPAC name is 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene.

Molecular Properties

Compound Name8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene
PubChem CID154724302
Molecular FormulaC61H64F2
Molecular Weight835.18 g/mol
Exact Mass834.50
IUPAC Name8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene
SMILESCCCCCCCCCCC1(CCCCCCC(CCC)c2cc(-c3ccc(F)cc3)c3c(c2-c2ccc(F)cc2)-c2cccc4cccc-3c24)c2ccccc2-c2ccccc21
InChIInChI=1S/C61H64F2/c1-3-5-6-7-8-9-11-18-40-61(55-30-16-14-26-49(55)50-27-15-17-31-56(50)61)41-19-12-10-13-23-43(22-4-2)53-42-54(44-32-36-47(62)37-33-44)59-51-28-20-24-45-25-21-29-52(57(45)51)60(59)58(53)46-34-38-48(63)39-35-46/h14-17,20-21,24-39,42-43H,3-13,18-19,22-23,40-41H2,1-2H3
InChIKeyGDEAHUFXOUDIFE-UHFFFAOYSA-N
XLogP18.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.18
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene?
The IUPAC name of 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene (CID 154724302) is 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene.
What is the SMILES notation for 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene?
The canonical SMILES for 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene is CCCCCCCCCCC1(CCCCCCC(CCC)c2cc(-c3ccc(F)cc3)c3c(c2-c2ccc(F)cc2)-c2cccc4cccc-3c24)c2ccccc2-c2ccccc21.
What is the InChIKey of 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene?
The InChIKey is GDEAHUFXOUDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H64F2/c1-3-5-6-7-8-9-11-18-40-61(55-30-16-14-26-49(55)50-27-15-17-31-56(50)61)41-19-12-10-13-23-43(22-4-2)53-42-54(44-32-36-47(62)37-33-44)59-51-28-20-24-45-25-21-29-52(57(45)51)60(59)58(53)46-34-38-48(63)39-35-46/h14-17,20-21,24-39,42-43H,3-13,18-19,22-23,40-41H2,1-2H3.
What are the key properties of 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene?
8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene has a molecular weight of 835.18 g/mol, XLogP of 18.82, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(9-decylfluoren-9-yl)decan-4-yl]-7,10-bis(4-fluorophenyl)fluoranthene is sourced from PubChem (CID 154724302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).