3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene

C18H16 — CID 100951206

IUPAC3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
SMILESC1=CC2C=CC1C1C(=C3C4C5C=CC(C=C5)C34)C21
InChIInChI=1S/C18H16/c1-2-10-4-3-9(1)13-14(10)17(13)18-15-11-5-6-12(8-7-11)16(15)18/h1-16H
InChIKeyLIAGZJRECQWYSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.52
Rot. Bonds

About 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene

3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene (PubChem CID 100951206) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene.

Molecular Properties

Compound Name3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
PubChem CID100951206
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
SMILESC1=CC2C=CC1C1C(=C3C4C5C=CC(C=C5)C34)C21
InChIInChI=1S/C18H16/c1-2-10-4-3-9(1)13-14(10)17(13)18-15-11-5-6-12(8-7-11)16(15)18/h1-16H
InChIKeyLIAGZJRECQWYSN-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.52
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

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CID 55286164
(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol
CID 99958168
6-methyl-6,6a-dihydro-3aH-pentalen-1-one
CID 72755552
(1R,2R,5R,6R,7E)-3-chlorotricyclo[4.4.2.02,5]dodeca-3,7,9,11-tetraene
CID 125027624
(1R,2R,5R,6R,7E)-3-methyltricyclo[4.4.2.02,5]dodeca-3,7,9,11-tetraene
CID 98554435
(1'R,2'S,4'S,7'S,10'S,11'S)-spiro[cyclopentane-1,9'-pentacyclo[9.3.2.14,7.02,10.03,8]heptadeca-3(8),13,15-triene]-12'-one
CID 125036517
(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde
CID 100931779
4,4-bis(trifluoromethyl)bicyclo[3.2.0]hepta-2,6-diene
CID 594359
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine
CID 135011462
5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene
CID 595695
(2R,7S,9R,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11,15,17,19-pentaene
CID 102306199

Frequently Asked Questions

What is the IUPAC name of 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene?
The IUPAC name of 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene (CID 100951206) is 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene.
What is the SMILES notation for 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene?
The canonical SMILES for 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene is C1=CC2C=CC1C1C(=C3C4C5C=CC(C=C5)C34)C21.
What is the InChIKey of 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene?
The InChIKey is LIAGZJRECQWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-2-10-4-3-9(1)13-14(10)17(13)18-15-11-5-6-12(8-7-11)16(15)18/h1-16H.
What are the key properties of 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene?
3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene has a molecular weight of 232.33 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene is sourced from PubChem (CID 100951206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).