pentakis(N-ethylethanamine);9H-fluorene

C33H65N5 — CID 172860190

IUPACpentakis(N-ethylethanamine);9H-fluorene
SMILESCCNCC.CCNCC.CCNCC.CCNCC.CCNCC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.5C4H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5*1-3-5-4-2/h1-8H,9H2;5*5H,3-4H2,1-2H3
InChIKeyZGAHOLJSUXUNRR-UHFFFAOYSA-N
MW531.92 g/mol
LogP6.34
Rot. Bonds10

About pentakis(N-ethylethanamine);9H-fluorene

pentakis(N-ethylethanamine);9H-fluorene (PubChem CID 172860190) has the molecular formula C33H65N5 and a molecular weight of 531.92 g/mol. Its IUPAC name is pentakis(N-ethylethanamine);9H-fluorene.

Molecular Properties

Compound Namepentakis(N-ethylethanamine);9H-fluorene
PubChem CID172860190
Molecular FormulaC33H65N5
Molecular Weight531.92 g/mol
Exact Mass531.52
IUPAC Namepentakis(N-ethylethanamine);9H-fluorene
SMILESCCNCC.CCNCC.CCNCC.CCNCC.CCNCC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.5C4H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5*1-3-5-4-2/h1-8H,9H2;5*5H,3-4H2,1-2H3
InChIKeyZGAHOLJSUXUNRR-UHFFFAOYSA-N
XLogP6.34
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.92
LogP ≤ 56.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pentakis(N-ethylethanamine);9H-fluorene?
The IUPAC name of pentakis(N-ethylethanamine);9H-fluorene (CID 172860190) is pentakis(N-ethylethanamine);9H-fluorene.
What is the SMILES notation for pentakis(N-ethylethanamine);9H-fluorene?
The canonical SMILES for pentakis(N-ethylethanamine);9H-fluorene is CCNCC.CCNCC.CCNCC.CCNCC.CCNCC.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of pentakis(N-ethylethanamine);9H-fluorene?
The InChIKey is ZGAHOLJSUXUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.5C4H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5*1-3-5-4-2/h1-8H,9H2;5*5H,3-4H2,1-2H3.
What are the key properties of pentakis(N-ethylethanamine);9H-fluorene?
pentakis(N-ethylethanamine);9H-fluorene has a molecular weight of 531.92 g/mol, XLogP of 6.34, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(N-ethylethanamine);9H-fluorene is sourced from PubChem (CID 172860190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).