9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene

C32H30 — CID 19706039

IUPAC9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene
SMILESCCC(C1c2ccccc2-c2ccccc21)C(CC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H30/c1-3-21(31-27-17-9-5-13-23(27)24-14-6-10-18-28(24)31)22(4-2)32-29-19-11-7-15-25(29)26-16-8-12-20-30(26)32/h5-22,31-32H,3-4H2,1-2H3
InChIKeyAGHMTYJRQZINRJ-UHFFFAOYSA-N
MW414.59 g/mol
LogP8.66
Rot. Bonds5

About 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene

9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene (PubChem CID 19706039) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene
PubChem CID19706039
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene
SMILESCCC(C1c2ccccc2-c2ccccc21)C(CC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H30/c1-3-21(31-27-17-9-5-13-23(27)24-14-6-10-18-28(24)31)22(4-2)32-29-19-11-7-15-25(29)26-16-8-12-20-30(26)32/h5-22,31-32H,3-4H2,1-2H3
InChIKeyAGHMTYJRQZINRJ-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene?
The IUPAC name of 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene (CID 19706039) is 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene.
What is the SMILES notation for 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene?
The canonical SMILES for 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene is CCC(C1c2ccccc2-c2ccccc21)C(CC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene?
The InChIKey is AGHMTYJRQZINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30/c1-3-21(31-27-17-9-5-13-23(27)24-14-6-10-18-28(24)31)22(4-2)32-29-19-11-7-15-25(29)26-16-8-12-20-30(26)32/h5-22,31-32H,3-4H2,1-2H3.
What are the key properties of 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene?
9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene has a molecular weight of 414.59 g/mol, XLogP of 8.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9H-fluoren-9-yl)hexan-3-yl]-9H-fluorene is sourced from PubChem (CID 19706039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).