3-ethylpentane;bis(9H-fluorene)

C33H36 — CID 161034043

IUPAC3-ethylpentane;bis(9H-fluorene)
SMILESCCC(CC)CC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C7H16/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4-7(5-2)6-3/h2*1-8H,9H2;7H,4-6H2,1-3H3
InChIKeyUAABHOKHOSFMMB-UHFFFAOYSA-N
MW432.65 g/mol
LogP9.35
Rot. Bonds3

About 3-ethylpentane;bis(9H-fluorene)

3-ethylpentane;bis(9H-fluorene) (PubChem CID 161034043) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is 3-ethylpentane;bis(9H-fluorene).

Molecular Properties

Compound Name3-ethylpentane;bis(9H-fluorene)
PubChem CID161034043
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Name3-ethylpentane;bis(9H-fluorene)
SMILESCCC(CC)CC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C7H16/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4-7(5-2)6-3/h2*1-8H,9H2;7H,4-6H2,1-3H3
InChIKeyUAABHOKHOSFMMB-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethanamine;9H-fluorene
CID 158316259
bis(9H-fluorene);pentane
CID 159146463
bis(9H-fluorene);methane;pentane
CID 158815702
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190
9H-fluorene;henicosane
CID 174789372
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
ethene;9H-fluorene
CID 159544077
azane;9H-fluorene;hydrobromide
CID 174352852

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane;bis(9H-fluorene)?
The IUPAC name of 3-ethylpentane;bis(9H-fluorene) (CID 161034043) is 3-ethylpentane;bis(9H-fluorene).
What is the SMILES notation for 3-ethylpentane;bis(9H-fluorene)?
The canonical SMILES for 3-ethylpentane;bis(9H-fluorene) is CCC(CC)CC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-ethylpentane;bis(9H-fluorene)?
The InChIKey is UAABHOKHOSFMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10.C7H16/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4-7(5-2)6-3/h2*1-8H,9H2;7H,4-6H2,1-3H3.
What are the key properties of 3-ethylpentane;bis(9H-fluorene)?
3-ethylpentane;bis(9H-fluorene) has a molecular weight of 432.65 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane;bis(9H-fluorene) is sourced from PubChem (CID 161034043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).