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

C37H22 — CID 59787194

IUPACnonacyclo[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
SMILESc1ccc2cc3cc4c(cc3cc2c1)Cc1cc2cc3cc5cc6ccccc6cc5cc3cc2cc1-4
InChIInChI=1S/C37H22/c1-2-6-23-10-27-14-30-16-33-21-37-35(18-31(33)15-29(30)13-26(27)9-22(23)5-1)19-34-17-28-11-24-7-3-4-8-25(24)12-32(28)20-36(34)37/h1-18,20-21H,19H2
InChIKeyWDUZVNLSEWGYFY-UHFFFAOYSA-N
MW466.58 g/mol
LogP10.18
Rot. Bonds

About 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

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 (PubChem CID 59787194) has the molecular formula C37H22 and a molecular weight of 466.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namenonacyclo[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
PubChem CID59787194
Molecular FormulaC37H22
Molecular Weight466.58 g/mol
Exact Mass466.17
IUPAC Namenonacyclo[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
SMILESc1ccc2cc3cc4c(cc3cc2c1)Cc1cc2cc3cc5cc6ccccc6cc5cc3cc2cc1-4
InChIInChI=1S/C37H22/c1-2-6-23-10-27-14-30-16-33-21-37-35(18-31(33)15-29(30)13-26(27)9-22(23)5-1)19-34-17-28-11-24-7-3-4-8-25(24)12-32(28)20-36(34)37/h1-18,20-21H,19H2
InChIKeyWDUZVNLSEWGYFY-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 59787194) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3cc4c(cc3cc2c1)Cc1cc2cc3cc5cc6ccccc6cc5cc3cc2cc1-4.
What is the InChIKey of 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?
The InChIKey is WDUZVNLSEWGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22/c1-2-6-23-10-27-14-30-16-33-21-37-35(18-31(33)15-29(30)13-26(27)9-22(23)5-1)19-34-17-28-11-24-7-3-4-8-25(24)12-32(28)20-36(34)37/h1-18,20-21H,19H2.
What are the key properties of 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?
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 has a molecular weight of 466.58 g/mol, XLogP of 10.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59787194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).