9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene

C28H22 — CID 601495

IUPAC9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,27-28H,17-18H2
InChIKeyCGKZVLRUVQUGKU-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.39
Rot. Bonds3

About 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene

9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene (PubChem CID 601495) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene
PubChem CID601495
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,27-28H,17-18H2
InChIKeyCGKZVLRUVQUGKU-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fluorene
CID 6853
3-Methylcholanthrene
CID 1674
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Benzo(J)Fluoranthene
CID 9152
Benzo(a)fluoranthene
CID 9146
1,2-Dihydrobenz(j)aceanthrylene
CID 10176
9-Methylfluorene
CID 17299
Benzo(ghi)fluoranthene
CID 9144
4H-Cyclopenta(def)chrysene
CID 67458
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793

Frequently Asked Questions

What is the IUPAC name of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene?
The IUPAC name of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene (CID 601495) is 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene?
The canonical SMILES for 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene is c1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene?
The InChIKey is CGKZVLRUVQUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,27-28H,17-18H2.
What are the key properties of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene?
9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene has a molecular weight of 358.48 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 601495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).