2,7-dihydro-1H-benzo[a]phenalene

C17H14 — CID 142298034

IUPAC2,7-dihydro-1H-benzo[a]phenalene
SMILESC1=c2cccc3c2=C(CC1)c1ccccc1C3
InChIInChI=1S/C17H14/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-3,5-9H,4,10-11H2
InChIKeyAPNWYZGKIFSMHQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.36
Rot. Bonds

About 2,7-dihydro-1H-benzo[a]phenalene

2,7-dihydro-1H-benzo[a]phenalene (PubChem CID 142298034) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,7-dihydro-1H-benzo[a]phenalene.

Molecular Properties

Compound Name2,7-dihydro-1H-benzo[a]phenalene
PubChem CID142298034
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name2,7-dihydro-1H-benzo[a]phenalene
SMILESC1=c2cccc3c2=C(CC1)c1ccccc1C3
InChIInChI=1S/C17H14/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-3,5-9H,4,10-11H2
InChIKeyAPNWYZGKIFSMHQ-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-methyl-1,2-dihydrofluoranthene
CID 142298089
ethene;9H-fluorene
CID 159544077
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
cadmium;9H-fluorene
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azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;formic acid
CID 175878260

Frequently Asked Questions

What is the IUPAC name of 2,7-dihydro-1H-benzo[a]phenalene?
The IUPAC name of 2,7-dihydro-1H-benzo[a]phenalene (CID 142298034) is 2,7-dihydro-1H-benzo[a]phenalene.
What is the SMILES notation for 2,7-dihydro-1H-benzo[a]phenalene?
The canonical SMILES for 2,7-dihydro-1H-benzo[a]phenalene is C1=c2cccc3c2=C(CC1)c1ccccc1C3.
What is the InChIKey of 2,7-dihydro-1H-benzo[a]phenalene?
The InChIKey is APNWYZGKIFSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-3,5-9H,4,10-11H2.
What are the key properties of 2,7-dihydro-1H-benzo[a]phenalene?
2,7-dihydro-1H-benzo[a]phenalene has a molecular weight of 218.30 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydro-1H-benzo[a]phenalene is sourced from PubChem (CID 142298034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).