acenaphthylene;fluoranthene;furan

C32H22O — CID 158545745

IUPACacenaphthylene;fluoranthene;furan
SMILESC1=Cc2cccc3cccc1c23.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccoc1
InChIInChI=1S/C16H10.C12H8.C4H4O/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-2-4-5-3-1/h1-10H;1-8H;1-4H
InChIKeyHPBYGMDYONTVEP-UHFFFAOYSA-N
MW422.53 g/mol
LogP9.09
Rot. Bonds

About acenaphthylene;fluoranthene;furan

acenaphthylene;fluoranthene;furan (PubChem CID 158545745) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is acenaphthylene;fluoranthene;furan.

Molecular Properties

Compound Nameacenaphthylene;fluoranthene;furan
PubChem CID158545745
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Nameacenaphthylene;fluoranthene;furan
SMILESC1=Cc2cccc3cccc1c23.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccoc1
InChIInChI=1S/C16H10.C12H8.C4H4O/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-2-4-5-3-1/h1-10H;1-8H;1-4H
InChIKeyHPBYGMDYONTVEP-UHFFFAOYSA-N
XLogP9.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acenaphthylene;fluoranthene;furan?
The IUPAC name of acenaphthylene;fluoranthene;furan (CID 158545745) is acenaphthylene;fluoranthene;furan.
What is the SMILES notation for acenaphthylene;fluoranthene;furan?
The canonical SMILES for acenaphthylene;fluoranthene;furan is C1=Cc2cccc3cccc1c23.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccoc1.
What is the InChIKey of acenaphthylene;fluoranthene;furan?
The InChIKey is HPBYGMDYONTVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C12H8.C4H4O/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-2-4-5-3-1/h1-10H;1-8H;1-4H.
What are the key properties of acenaphthylene;fluoranthene;furan?
acenaphthylene;fluoranthene;furan has a molecular weight of 422.53 g/mol, XLogP of 9.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene;fluoranthene;furan is sourced from PubChem (CID 158545745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).