1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene

C32H30 — CID 21254281

IUPAC1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene
SMILESCCCCCC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C32H30/c1-2-3-4-15-28(29-18-9-16-26-24-13-7-5-11-22(24)20-31(26)29)30-19-10-17-27-25-14-8-6-12-23(25)21-32(27)30/h5-14,16-19,28H,2-4,15,20-21H2,1H3
InChIKeyXAHZANQGDSXLFU-UHFFFAOYSA-N
MW414.59 g/mol
LogP8.54
Rot. Bonds6

About 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene

1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene (PubChem CID 21254281) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene
PubChem CID21254281
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene
SMILESCCCCCC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C32H30/c1-2-3-4-15-28(29-18-9-16-26-24-13-7-5-11-22(24)20-31(26)29)30-19-10-17-27-25-14-8-6-12-23(25)21-32(27)30/h5-14,16-19,28H,2-4,15,20-21H2,1H3
InChIKeyXAHZANQGDSXLFU-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.54
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 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene?
The IUPAC name of 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene (CID 21254281) is 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene.
What is the SMILES notation for 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene?
The canonical SMILES for 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene is CCCCCC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene?
The InChIKey is XAHZANQGDSXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30/c1-2-3-4-15-28(29-18-9-16-26-24-13-7-5-11-22(24)20-31(26)29)30-19-10-17-27-25-14-8-6-12-23(25)21-32(27)30/h5-14,16-19,28H,2-4,15,20-21H2,1H3.
What are the key properties of 1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene?
1-[1-(9H-fluoren-1-yl)hexyl]-9H-fluorene has a molecular weight of 414.59 g/mol, XLogP of 8.54, 6 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)hexyl]-9H-fluorene is sourced from PubChem (CID 21254281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).