2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

C22H12O2 — CID 175690416

IUPAC2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESc1cc2c(c(-c3ccc4ccccc4c3-c3cccc4c3O4)c1)O2
InChIInChI=1S/C22H12O2/c1-2-6-14-13(5-1)11-12-15(16-7-3-9-18-21(16)23-18)20(14)17-8-4-10-19-22(17)24-19/h1-12H
InChIKeySWUXIOFYUCSJNG-UHFFFAOYSA-N
MW308.34 g/mol
LogP6.39
Rot. Bonds2

About 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 175690416) has the molecular formula C22H12O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID175690416
Molecular FormulaC22H12O2
Molecular Weight308.34 g/mol
Exact Mass308.08
IUPAC Name2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESc1cc2c(c(-c3ccc4ccccc4c3-c3cccc4c3O4)c1)O2
InChIInChI=1S/C22H12O2/c1-2-6-14-13(5-1)11-12-15(16-7-3-9-18-21(16)23-18)20(14)17-8-4-10-19-22(17)24-19/h1-12H
InChIKeySWUXIOFYUCSJNG-UHFFFAOYSA-N
XLogP6.39
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene with MolForge

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Related Compounds

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6-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
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nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
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4-benzo[a]anthracen-12-yl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 171045350
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine
CID 171757650
1-phenoxathiin-4-ylnaphthalen-2-ol
CID 89495024
1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]
CID 168799005
16-[2-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)naphthalen-1-yl]-12-oxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 171045980
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CID 155333842
16-(7-naphthalen-1-ylbenzo[a]anthracen-12-yl)-12-oxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 171045137
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (CID 175690416) is 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is c1cc2c(c(-c3ccc4ccccc4c3-c3cccc4c3O4)c1)O2.
What is the InChIKey of 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is SWUXIOFYUCSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O2/c1-2-6-14-13(5-1)11-12-15(16-7-3-9-18-21(16)23-18)20(14)17-8-4-10-19-22(17)24-19/h1-12H.
What are the key properties of 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 308.34 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 175690416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).