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

C28H22 — CID 19692123

IUPAC1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene
SMILESCC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H22/c1-18(21-12-6-14-25-23-10-4-2-8-19(23)16-27(21)25)22-13-7-15-26-24-11-5-3-9-20(24)17-28(22)26/h2-15,18H,16-17H2,1H3
InChIKeyFBYVCCDIWZQOFN-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.98
Rot. Bonds2

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

1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene (PubChem CID 19692123) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene
PubChem CID19692123
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene
SMILESCC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H22/c1-18(21-12-6-14-25-23-10-4-2-8-19(23)16-27(21)25)22-13-7-15-26-24-11-5-3-9-20(24)17-28(22)26/h2-15,18H,16-17H2,1H3
InChIKeyFBYVCCDIWZQOFN-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene?
The IUPAC name of 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene (CID 19692123) is 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene?
The canonical SMILES for 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene is CC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene?
The InChIKey is FBYVCCDIWZQOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-18(21-12-6-14-25-23-10-4-2-8-19(23)16-27(21)25)22-13-7-15-26-24-11-5-3-9-20(24)17-28(22)26/h2-15,18H,16-17H2,1H3.
What are the key properties of 1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene?
1-[1-(9H-fluoren-1-yl)ethyl]-9H-fluorene has a molecular weight of 358.48 g/mol, XLogP of 6.98, 2 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)ethyl]-9H-fluorene is sourced from PubChem (CID 19692123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).