2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene

C30H10 — CID 25192309

IUPAC2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
SMILESC#Cc1cc2c(C#C)cc3c(C#C)cc4c(C#C)cc5c(C#C)cc1c1c5c4c3c21
InChIInChI=1S/C30H10/c1-6-16-11-22-18(8-3)13-24-20(10-5)15-25-19(9-4)14-23-17(7-2)12-21(16)26-27(22)29(24)30(25)28(23)26/h1-5,11-15H
InChIKeyXUJDOIJHOLAACQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.67
Rot. Bonds

About 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene

2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene (PubChem CID 25192309) has the molecular formula C30H10 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene.

Molecular Properties

Compound Name2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
PubChem CID25192309
Molecular FormulaC30H10
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
SMILESC#Cc1cc2c(C#C)cc3c(C#C)cc4c(C#C)cc5c(C#C)cc1c1c5c4c3c21
InChIInChI=1S/C30H10/c1-6-16-11-22-18(8-3)13-24-20(10-5)15-25-19(9-4)14-23-17(7-2)12-21(16)26-27(22)29(24)30(25)28(23)26/h1-5,11-15H
InChIKeyXUJDOIJHOLAACQ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene?
The IUPAC name of 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene (CID 25192309) is 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene.
What is the SMILES notation for 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene?
The canonical SMILES for 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene is C#Cc1cc2c(C#C)cc3c(C#C)cc4c(C#C)cc5c(C#C)cc1c1c5c4c3c21.
What is the InChIKey of 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene?
The InChIKey is XUJDOIJHOLAACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H10/c1-6-16-11-22-18(8-3)13-24-20(10-5)15-25-19(9-4)14-23-17(7-2)12-21(16)26-27(22)29(24)30(25)28(23)26/h1-5,11-15H.
What are the key properties of 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene?
2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene has a molecular weight of 370.41 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene is sourced from PubChem (CID 25192309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).