1,2-dihydroacenaphthylene;9H-fluorene;propane

C31H36 — CID 158482516

IUPAC1,2-dihydroacenaphthylene;9H-fluorene;propane
SMILESCCC.CCC.c1cc2c3c(cccc3c1)CC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H10.2C3H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;2*1-3-2/h1-8H,9H2;1-6H,7-8H2;2*3H2,1-2H3
InChIKeyHHRPFNIVUYGFPQ-UHFFFAOYSA-N
MW408.63 g/mol
LogP9.03
Rot. Bonds

About 1,2-dihydroacenaphthylene;9H-fluorene;propane

1,2-dihydroacenaphthylene;9H-fluorene;propane (PubChem CID 158482516) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene;9H-fluorene;propane.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene;9H-fluorene;propane
PubChem CID158482516
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name1,2-dihydroacenaphthylene;9H-fluorene;propane
SMILESCCC.CCC.c1cc2c3c(cccc3c1)CC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H10.2C3H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;2*1-3-2/h1-8H,9H2;1-6H,7-8H2;2*3H2,1-2H3
InChIKeyHHRPFNIVUYGFPQ-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane
CID 158642069
anthracene;fluoranthene;9H-fluorene
CID 162240077
1,2-dihydroacenaphthylene
CID 161018660
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
ethanamine;9H-fluorene
CID 158316259
bis(9H-fluorene);pentane
CID 159146463
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
9H-fluorene;henicosane
CID 174789372
bis(9H-fluorene);methane;pentane
CID 158815702
3-ethylpentane;bis(9H-fluorene)
CID 161034043
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene;9H-fluorene;propane?
The IUPAC name of 1,2-dihydroacenaphthylene;9H-fluorene;propane (CID 158482516) is 1,2-dihydroacenaphthylene;9H-fluorene;propane.
What is the SMILES notation for 1,2-dihydroacenaphthylene;9H-fluorene;propane?
The canonical SMILES for 1,2-dihydroacenaphthylene;9H-fluorene;propane is CCC.CCC.c1cc2c3c(cccc3c1)CC2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,2-dihydroacenaphthylene;9H-fluorene;propane?
The InChIKey is HHRPFNIVUYGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H10.2C3H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;2*1-3-2/h1-8H,9H2;1-6H,7-8H2;2*3H2,1-2H3.
What are the key properties of 1,2-dihydroacenaphthylene;9H-fluorene;propane?
1,2-dihydroacenaphthylene;9H-fluorene;propane has a molecular weight of 408.63 g/mol, XLogP of 9.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene;9H-fluorene;propane is sourced from PubChem (CID 158482516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).