pentalene;2,3,5,6-tetrahydrochrysene

C26H22 — CID 174858188

IUPACpentalene;2,3,5,6-tetrahydrochrysene
SMILESC1=CC2=CC=CC2=C1.C1=c2ccc3c(c2=CCC1)CCc1ccccc1-3
InChIInChI=1S/C18H16.C8H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-7-5-2-6-8(7)4-1/h1,3,5-8,10,12H,2,4,9,11H2;1-6H
InChIKeyQZGBEORKLHAGGQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.79
Rot. Bonds

About pentalene;2,3,5,6-tetrahydrochrysene

pentalene;2,3,5,6-tetrahydrochrysene (PubChem CID 174858188) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is pentalene;2,3,5,6-tetrahydrochrysene.

Molecular Properties

Compound Namepentalene;2,3,5,6-tetrahydrochrysene
PubChem CID174858188
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Namepentalene;2,3,5,6-tetrahydrochrysene
SMILESC1=CC2=CC=CC2=C1.C1=c2ccc3c(c2=CCC1)CCc1ccccc1-3
InChIInChI=1S/C18H16.C8H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-7-5-2-6-8(7)4-1/h1,3,5-8,10,12H,2,4,9,11H2;1-6H
InChIKeyQZGBEORKLHAGGQ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174728506
9,10-dihydrophenanthrene;ethane
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1-bromo-9,10-dihydrophenanthrene
CID 147917753
1-propyl-3,4,5,6-tetrahydrochrysene
CID 174923290
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CID 165351241
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
phthalic acid;3,4,5,6-tetrahydrochrysene
CID 174338796
2-(3,4,5,6-tetrahydrochrysen-1-ylmethyl)isoindole-1,3-dione
CID 174304222
7-pyridin-3-yl-2-(3,4,5,6-tetrahydrochrysen-1-yl)-2H-azepine
CID 174357756
isoindole-1,3-dione;1-phenyl-3,4,5,6-tetrahydrochrysene
CID 175314478

Frequently Asked Questions

What is the IUPAC name of pentalene;2,3,5,6-tetrahydrochrysene?
The IUPAC name of pentalene;2,3,5,6-tetrahydrochrysene (CID 174858188) is pentalene;2,3,5,6-tetrahydrochrysene.
What is the SMILES notation for pentalene;2,3,5,6-tetrahydrochrysene?
The canonical SMILES for pentalene;2,3,5,6-tetrahydrochrysene is C1=CC2=CC=CC2=C1.C1=c2ccc3c(c2=CCC1)CCc1ccccc1-3.
What is the InChIKey of pentalene;2,3,5,6-tetrahydrochrysene?
The InChIKey is QZGBEORKLHAGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-7-5-2-6-8(7)4-1/h1,3,5-8,10,12H,2,4,9,11H2;1-6H.
What are the key properties of pentalene;2,3,5,6-tetrahydrochrysene?
pentalene;2,3,5,6-tetrahydrochrysene has a molecular weight of 334.46 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentalene;2,3,5,6-tetrahydrochrysene is sourced from PubChem (CID 174858188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).