3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene

C20H18 — CID 162425242

IUPAC3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene
SMILESC1=CC2C3C=CC1C=C(C1=CC4C=CC5C(C=C4)C15)C23
InChIInChI=1S/C20H18/c1-5-13-14-6-2-11(1)9-17(19(13)14)18-10-12-3-7-15-16(8-4-12)20(15)18/h1-16,19-20H
InChIKeyMCEHDKNCUPHTRH-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.08
Rot. Bonds1

About 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene

3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene (PubChem CID 162425242) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene.

Molecular Properties

Compound Name3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene
PubChem CID162425242
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene
SMILESC1=CC2C3C=CC1C=C(C1=CC4C=CC5C(C=C4)C15)C23
InChIInChI=1S/C20H18/c1-5-13-14-6-2-11(1)9-17(19(13)14)18-10-12-3-7-15-16(8-4-12)20(15)18/h1-16,19-20H
InChIKeyMCEHDKNCUPHTRH-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,6R,7R,8S,11R)-9-fluoro-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 100896127
(1R,2R,6R,7S,8R,11S)-9-methyl-4-oxatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 124920369
(1R,2S,5R,8S)-3-methoxy-6-methyl-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene
CID 98554020
(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one
CID 124916328
1,3-difluorocyclohexa-1,4-diene
CID 57158402
4-azatricyclo[3.3.2.02,8]deca-6,9-diene-3-thione
CID 90482043
(2R,6S)-4-methyl-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 101119628
4-[2-(9-oxo-8-tricyclo[4.3.0.02,5]nona-3,7-dienyl)ethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 163616256
pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione
CID 90482653
(1S,2R,3S,6S,7S,8S,10S,11S)-pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione
CID 124536586
1,3,4,6-tetrafluorocyclohexa-1,4-diene
CID 173333073
8-oxido-8-(trifluoromethylsulfonyl)-8-azoniatricyclo[4.3.0.02,5]non-3-ene-7,9-dione
CID 163729096

Frequently Asked Questions

What is the IUPAC name of 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene?
The IUPAC name of 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene (CID 162425242) is 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene.
What is the SMILES notation for 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene?
The canonical SMILES for 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene is C1=CC2C3C=CC1C=C(C1=CC4C=CC5C(C=C4)C15)C23.
What is the InChIKey of 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene?
The InChIKey is MCEHDKNCUPHTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-5-13-14-6-2-11(1)9-17(19(13)14)18-10-12-3-7-15-16(8-4-12)20(15)18/h1-16,19-20H.
What are the key properties of 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene?
3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene has a molecular weight of 258.36 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tricyclo[3.3.2.02,8]deca-3,6,9-trienyl)tricyclo[3.3.2.02,8]deca-3,6,9-triene is sourced from PubChem (CID 162425242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).