2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene

C25H18 — CID 90914506

IUPAC2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene
SMILESC1=C(C2Cc3cccc4cccc2c34)Cc2cccc3cccc1c23
InChIInChI=1S/C25H18/c1-5-16-6-2-10-19-14-21(13-18(9-1)24(16)19)23-15-20-11-3-7-17-8-4-12-22(23)25(17)20/h1-13,23H,14-15H2
InChIKeyYDKYVTOHVBKTMB-UHFFFAOYSA-N
MW318.42 g/mol
LogP6.27
Rot. Bonds1

About 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene

2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene (PubChem CID 90914506) has the molecular formula C25H18 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene
PubChem CID90914506
Molecular FormulaC25H18
Molecular Weight318.42 g/mol
Exact Mass318.14
IUPAC Name2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene
SMILESC1=C(C2Cc3cccc4cccc2c34)Cc2cccc3cccc1c23
InChIInChI=1S/C25H18/c1-5-16-6-2-10-19-14-21(13-18(9-1)24(16)19)23-15-20-11-3-7-17-8-4-12-22(23)25(17)20/h1-13,23H,14-15H2
InChIKeyYDKYVTOHVBKTMB-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene (CID 90914506) is 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene is C1=C(C2Cc3cccc4cccc2c34)Cc2cccc3cccc1c23.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene?
The InChIKey is YDKYVTOHVBKTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18/c1-5-16-6-2-10-19-14-21(13-18(9-1)24(16)19)23-15-20-11-3-7-17-8-4-12-22(23)25(17)20/h1-13,23H,14-15H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene?
2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene has a molecular weight of 318.42 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene is sourced from PubChem (CID 90914506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).