1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene

C36H36 — CID 19692122

IUPAC1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene
SMILESC=CCCCCCCC(Cc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C36H36/c1-2-3-4-5-6-7-14-26(32-20-13-22-34-31-19-11-9-16-29(31)25-36(32)34)23-27-17-12-21-33-30-18-10-8-15-28(30)24-35(27)33/h2,8-13,15-22,26H,1,3-7,14,23-25H2
InChIKeyVXEHDJOEPZDBFM-UHFFFAOYSA-N
MW468.68 g/mol
LogP9.68
Rot. Bonds10

About 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene

1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene (PubChem CID 19692122) has the molecular formula C36H36 and a molecular weight of 468.68 g/mol. Its IUPAC name is 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene
PubChem CID19692122
Molecular FormulaC36H36
Molecular Weight468.68 g/mol
Exact Mass468.28
IUPAC Name1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene
SMILESC=CCCCCCCC(Cc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C36H36/c1-2-3-4-5-6-7-14-26(32-20-13-22-34-31-19-11-9-16-29(31)25-36(32)34)23-27-17-12-21-33-30-18-10-8-15-28(30)24-35(27)33/h2,8-13,15-22,26H,1,3-7,14,23-25H2
InChIKeyVXEHDJOEPZDBFM-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene?
The IUPAC name of 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene (CID 19692122) is 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene?
The canonical SMILES for 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene is C=CCCCCCCC(Cc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene?
The InChIKey is VXEHDJOEPZDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36/c1-2-3-4-5-6-7-14-26(32-20-13-22-34-31-19-11-9-16-29(31)25-36(32)34)23-27-17-12-21-33-30-18-10-8-15-28(30)24-35(27)33/h2,8-13,15-22,26H,1,3-7,14,23-25H2.
What are the key properties of 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene?
1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene has a molecular weight of 468.68 g/mol, XLogP of 9.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene is sourced from PubChem (CID 19692122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).