decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene

C40H22 — CID 102341942

IUPACdecacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene
SMILESC1=C2C(=Cc3cc4cc5cc6ccccc6cc5cc4cc32)c2cc3cc4cc5ccccc5cc4cc3cc21
InChIInChI=1S/C40H22/c1-3-7-25-11-29-15-33-19-37-35(17-31(33)13-27(29)9-23(25)5-1)21-39-38-20-34-16-30-12-26-8-4-2-6-24(26)10-28(30)14-32(34)18-36(38)22-40(37)39/h1-22H
InChIKeyQOQAKRLOMPNMKF-UHFFFAOYSA-N
MW502.62 g/mol
LogP11.01
Rot. Bonds

About decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene

decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene (PubChem CID 102341942) has the molecular formula C40H22 and a molecular weight of 502.62 g/mol. Its IUPAC name is decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene.

Molecular Properties

Compound Namedecacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene
PubChem CID102341942
Molecular FormulaC40H22
Molecular Weight502.62 g/mol
Exact Mass502.17
IUPAC Namedecacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene
SMILESC1=C2C(=Cc3cc4cc5cc6ccccc6cc5cc4cc32)c2cc3cc4cc5ccccc5cc4cc3cc21
InChIInChI=1S/C40H22/c1-3-7-25-11-29-15-33-19-37-35(17-31(33)13-27(29)9-23(25)5-1)21-39-38-20-34-16-30-12-26-8-4-2-6-24(26)10-28(30)14-32(34)18-36(38)22-40(37)39/h1-22H
InChIKeyQOQAKRLOMPNMKF-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene with MolForge

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Related Compounds

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2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene
CID 172514729
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
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Frequently Asked Questions

What is the IUPAC name of decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene?
The IUPAC name of decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene (CID 102341942) is decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene.
What is the SMILES notation for decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene?
The canonical SMILES for decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene is C1=C2C(=Cc3cc4cc5cc6ccccc6cc5cc4cc32)c2cc3cc4cc5ccccc5cc4cc3cc21.
What is the InChIKey of decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene?
The InChIKey is QOQAKRLOMPNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22/c1-3-7-25-11-29-15-33-19-37-35(17-31(33)13-27(29)9-23(25)5-1)21-39-38-20-34-16-30-12-26-8-4-2-6-24(26)10-28(30)14-32(34)18-36(38)22-40(37)39/h1-22H.
What are the key properties of decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene?
decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene has a molecular weight of 502.62 g/mol, XLogP of 11.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene is sourced from PubChem (CID 102341942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).