ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane

C39H50N2 — CID 157189306

IUPACethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane
SMILESCC.CC.CCC.CCC1=NN=C(C)C1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C6H10N2.C3H8.2C2H6/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-4-5(2)7-8-6;1-3-2;2*1-2/h2*1-8H,9H2;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyAPMUHMFISBJNOI-UHFFFAOYSA-N
MW546.84 g/mol
LogP11.60
Rot. Bonds1

About ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane

ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane (PubChem CID 157189306) has the molecular formula C39H50N2 and a molecular weight of 546.84 g/mol. Its IUPAC name is ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane.

Molecular Properties

Compound Nameethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane
PubChem CID157189306
Molecular FormulaC39H50N2
Molecular Weight546.84 g/mol
Exact Mass546.40
IUPAC Nameethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane
SMILESCC.CC.CCC.CCC1=NN=C(C)C1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C6H10N2.C3H8.2C2H6/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-4-5(2)7-8-6;1-3-2;2*1-2/h2*1-8H,9H2;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyAPMUHMFISBJNOI-UHFFFAOYSA-N
XLogP11.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.84
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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bis(9H-fluorene);pentane
CID 159146463
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190
bis(9H-fluorene);methane;pentane
CID 158815702
3-ethylpentane;bis(9H-fluorene)
CID 161034043
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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane?
The IUPAC name of ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane (CID 157189306) is ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane.
What is the SMILES notation for ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane?
The canonical SMILES for ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane is CC.CC.CCC.CCC1=NN=C(C)C1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane?
The InChIKey is APMUHMFISBJNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10.C6H10N2.C3H8.2C2H6/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-4-5(2)7-8-6;1-3-2;2*1-2/h2*1-8H,9H2;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane?
ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane has a molecular weight of 546.84 g/mol, XLogP of 11.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane is sourced from PubChem (CID 157189306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).