benzo[k]fluoranthene;ethane

C22H18 — CID 142369852

IUPACbenzo[k]fluoranthene;ethane
SMILESCC.c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H12.C2H6/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1;1-2/h1-12H;1-2H3
InChIKeyOBHQDHLOMZVZAV-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.67
Rot. Bonds

About benzo[k]fluoranthene;ethane

benzo[k]fluoranthene;ethane (PubChem CID 142369852) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is benzo[k]fluoranthene;ethane.

Molecular Properties

Compound Namebenzo[k]fluoranthene;ethane
PubChem CID142369852
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Namebenzo[k]fluoranthene;ethane
SMILESCC.c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H12.C2H6/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1;1-2/h1-12H;1-2H3
InChIKeyOBHQDHLOMZVZAV-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthene;ethane?
The IUPAC name of benzo[k]fluoranthene;ethane (CID 142369852) is benzo[k]fluoranthene;ethane.
What is the SMILES notation for benzo[k]fluoranthene;ethane?
The canonical SMILES for benzo[k]fluoranthene;ethane is CC.c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of benzo[k]fluoranthene;ethane?
The InChIKey is OBHQDHLOMZVZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C2H6/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1;1-2/h1-12H;1-2H3.
What are the key properties of benzo[k]fluoranthene;ethane?
benzo[k]fluoranthene;ethane has a molecular weight of 282.39 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthene;ethane is sourced from PubChem (CID 142369852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).