dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene

C50H28 — CID 54171203

IUPACdodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
SMILESc1ccc2cc3cc4cc5cc6cc7cc8cc9cc%10cc%11cc%12ccccc%12cc%11cc%10cc9cc8cc7cc6cc5cc4cc3cc2c1
InChIInChI=1S/C50H28/c1-2-6-30-10-34-14-38-18-42-22-46-26-50-28-48-24-44-20-40-16-36-12-32-8-4-3-7-31(32)11-35(36)15-39(40)19-43(44)23-47(48)27-49(50)25-45(46)21-41(42)17-37(38)13-33(34)9-29(30)5-1/h1-28H
InChIKeyOVDRZMWGXBDBQQ-UHFFFAOYSA-N
MW628.77 g/mol
LogP14.37
Rot. Bonds

About dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene

dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene (PubChem CID 54171203) has the molecular formula C50H28 and a molecular weight of 628.77 g/mol. Its IUPAC name is dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene.

Molecular Properties

Compound Namedodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
PubChem CID54171203
Molecular FormulaC50H28
Molecular Weight628.77 g/mol
Exact Mass628.22
IUPAC Namedodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
SMILESc1ccc2cc3cc4cc5cc6cc7cc8cc9cc%10cc%11cc%12ccccc%12cc%11cc%10cc9cc8cc7cc6cc5cc4cc3cc2c1
InChIInChI=1S/C50H28/c1-2-6-30-10-34-14-38-18-42-22-46-26-50-28-48-24-44-20-40-16-36-12-32-8-4-3-7-31(32)11-35(36)15-39(40)19-43(44)23-47(48)27-49(50)25-45(46)21-41(42)17-37(38)13-33(34)9-29(30)5-1/h1-28H
InChIKeyOVDRZMWGXBDBQQ-UHFFFAOYSA-N
XLogP14.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.77
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene with MolForge

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decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842

Frequently Asked Questions

What is the IUPAC name of dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene?
The IUPAC name of dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene (CID 54171203) is dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene.
What is the SMILES notation for dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene?
The canonical SMILES for dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene is c1ccc2cc3cc4cc5cc6cc7cc8cc9cc%10cc%11cc%12ccccc%12cc%11cc%10cc9cc8cc7cc6cc5cc4cc3cc2c1.
What is the InChIKey of dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene?
The InChIKey is OVDRZMWGXBDBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28/c1-2-6-30-10-34-14-38-18-42-22-46-26-50-28-48-24-44-20-40-16-36-12-32-8-4-3-7-31(32)11-35(36)15-39(40)19-43(44)23-47(48)27-49(50)25-45(46)21-41(42)17-37(38)13-33(34)9-29(30)5-1/h1-28H.
What are the key properties of dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene?
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene has a molecular weight of 628.77 g/mol, XLogP of 14.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene is sourced from PubChem (CID 54171203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).