5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C24H16 — CID 11483532

IUPAC5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESC#Cc1c2ccc(c1C#C)CCc1ccc(c(C#C)c1C#C)CC2
InChIInChI=1S/C24H16/c1-5-21-17-9-10-18(22(21)6-2)15-16-20-12-11-19(14-13-17)23(7-3)24(20)8-4/h1-4,9-12H,13-16H2
InChIKeyCVPIJRGDGSDMMX-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.50
Rot. Bonds

About 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 11483532) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID11483532
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESC#Cc1c2ccc(c1C#C)CCc1ccc(c(C#C)c1C#C)CC2
InChIInChI=1S/C24H16/c1-5-21-17-9-10-18(22(21)6-2)15-16-20-12-11-19(14-13-17)23(7-3)24(20)8-4/h1-4,9-12H,13-16H2
InChIKeyCVPIJRGDGSDMMX-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 11483532) is 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is C#Cc1c2ccc(c1C#C)CCc1ccc(c(C#C)c1C#C)CC2.
What is the InChIKey of 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is CVPIJRGDGSDMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-5-21-17-9-10-18(22(21)6-2)15-16-20-12-11-19(14-13-17)23(7-3)24(20)8-4/h1-4,9-12H,13-16H2.
What are the key properties of 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 304.39 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12-tetraethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 11483532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).