12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene

C24H10 — CID 102289282

IUPAC12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
SMILESC(C#CC#CC#[13C]c1ccccc1)#CC#CC#[13C]c1ccccc1
InChIInChI=1S/C24H10/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h9-10,13-16,19-22H/i17+1,18+1
InChIKeyMLWMBPSCAZWEPG-VJNPICPZSA-N
MW300.33 g/mol
LogP3.10
Rot. Bonds

About 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene

12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene (PubChem CID 102289282) has the molecular formula C24H10 and a molecular weight of 300.33 g/mol. Its IUPAC name is 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene.

Molecular Properties

Compound Name12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
PubChem CID102289282
Molecular FormulaC24H10
Molecular Weight300.33 g/mol
Exact Mass300.08
IUPAC Name12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
SMILESC(C#CC#CC#[13C]c1ccccc1)#CC#CC#[13C]c1ccccc1
InChIInChI=1S/C24H10/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h9-10,13-16,19-22H/i17+1,18+1
InChIKeyMLWMBPSCAZWEPG-VJNPICPZSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.10
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 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene?
The IUPAC name of 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene (CID 102289282) is 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene.
What is the SMILES notation for 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene?
The canonical SMILES for 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene is C(C#CC#CC#[13C]c1ccccc1)#CC#CC#[13C]c1ccccc1.
What is the InChIKey of 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene?
The InChIKey is MLWMBPSCAZWEPG-VJNPICPZSA-N. The full InChI is InChI=1S/C24H10/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h9-10,13-16,19-22H/i17+1,18+1.
What are the key properties of 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene?
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene has a molecular weight of 300.33 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene is sourced from PubChem (CID 102289282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).