1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane

C34H42 — CID 158642069

IUPAC1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane
SMILESCC(C)C.CCC(C)C.c1cc2c3c(cccc3c1)CC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H10.C5H12.C4H10/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;1-4-5(2)3;1-4(2)3/h1-8H,9H2;1-6H,7-8H2;5H,4H2,1-3H3;4H,1-3H3
InChIKeyIAMYWSRVQQELOP-UHFFFAOYSA-N
MW450.71 g/mol
LogP9.91
Rot. Bonds1

About 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane

1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane (PubChem CID 158642069) has the molecular formula C34H42 and a molecular weight of 450.71 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane
PubChem CID158642069
Molecular FormulaC34H42
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane
SMILESCC(C)C.CCC(C)C.c1cc2c3c(cccc3c1)CC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H10.C5H12.C4H10/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;1-4-5(2)3;1-4(2)3/h1-8H,9H2;1-6H,7-8H2;5H,4H2,1-3H3;4H,1-3H3
InChIKeyIAMYWSRVQQELOP-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
3-ethylpentane;bis(9H-fluorene)
CID 161034043
1,2-dihydroacenaphthylene
CID 161018660
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
ethanamine;9H-fluorene
CID 158316259
anthracene;fluoranthene;9H-fluorene
CID 162240077
bis(9H-fluorene);pentane
CID 159146463
9H-fluorene;propane-1,2-diol
CID 158061143
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;henicosane
CID 174789372
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane?
The IUPAC name of 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane (CID 158642069) is 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane.
What is the SMILES notation for 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane?
The canonical SMILES for 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane is CC(C)C.CCC(C)C.c1cc2c3c(cccc3c1)CC2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane?
The InChIKey is IAMYWSRVQQELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H10.C5H12.C4H10/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;1-4-5(2)3;1-4(2)3/h1-8H,9H2;1-6H,7-8H2;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane?
1,2-dihydroacenaphthylene;9H-fluorene;2-methylbutane;2-methylpropane has a molecular weight of 450.71 g/mol, XLogP of 9.91, 1 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;2-methylbutane;2-methylpropane is sourced from PubChem (CID 158642069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).