5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C23H22 — CID 15328348

IUPAC5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESC1=CC(/C=C/c2cc3ccc2CCc2ccc(cc2)CC3)C=C1
InChIInChI=1S/C23H22/c1-2-4-18(3-1)12-16-23-17-21-10-9-19-5-7-20(8-6-19)11-14-22(23)15-13-21/h1-8,12-13,15-18H,9-11,14H2/b16-12+
InChIKeyOCYPCXTVWHGZEZ-FOWTUZBSSA-N
MW298.43 g/mol
LogP5.33
Rot. Bonds2

About 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 15328348) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID15328348
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESC1=CC(/C=C/c2cc3ccc2CCc2ccc(cc2)CC3)C=C1
InChIInChI=1S/C23H22/c1-2-4-18(3-1)12-16-23-17-21-10-9-19-5-7-20(8-6-19)11-14-22(23)15-13-21/h1-8,12-13,15-18H,9-11,14H2/b16-12+
InChIKeyOCYPCXTVWHGZEZ-FOWTUZBSSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 10777766
1-methyl-4-[(E)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethenyl]pyridin-1-ium
CID 155908650
(2E,4E,6E)-7-[12-[(1E,3E,5E)-7-hydroxyhepta-1,3,5-trienyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]hepta-2,4,6-trien-1-ol
CID 11475779
5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 139076148
tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
CID 58554908
ethyl (E)-2-methyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-enoate
CID 101034362
ethyl (2E,4E)-5-[11-[(1E,3E)-5-ethoxy-3-methoxy-5-oxopenta-1,3-dienyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-3-methoxypenta-2,4-dienoate
CID 11489217
5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 21337608
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
CID 24807421
5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 134864318
tert-butyl N-(11-formyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)carbamate
CID 176729861

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 15328348) is 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is C1=CC(/C=C/c2cc3ccc2CCc2ccc(cc2)CC3)C=C1.
What is the InChIKey of 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is OCYPCXTVWHGZEZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H22/c1-2-4-18(3-1)12-16-23-17-21-10-9-19-5-7-20(8-6-19)11-14-22(23)15-13-21/h1-8,12-13,15-18H,9-11,14H2/b16-12+.
What are the key properties of 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 298.43 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 15328348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).