nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene

C34H18 — CID 166446594

IUPACnonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2c4ccc5c6cc7ccccc7cc6c5c4ccc2c13
InChIInChI=1S/C34H18/c1-3-7-21-17-31-29(15-19(21)5-1)27-11-9-23-24-10-12-28-30-16-20-6-2-4-8-22(20)18-32(30)34(28)26(24)14-13-25(23)33(27)31/h1-18H
InChIKeyKDNFDXFUBKRBMZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP9.79
Rot. Bonds

About nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene

nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene (PubChem CID 166446594) has the molecular formula C34H18 and a molecular weight of 426.52 g/mol. Its IUPAC name is nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene.

Molecular Properties

Compound Namenonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene
PubChem CID166446594
Molecular FormulaC34H18
Molecular Weight426.52 g/mol
Exact Mass426.14
IUPAC Namenonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2c4ccc5c6cc7ccccc7cc6c5c4ccc2c13
InChIInChI=1S/C34H18/c1-3-7-21-17-31-29(15-19(21)5-1)27-11-9-23-24-10-12-28-30-16-20-6-2-4-8-22(20)18-32(30)34(28)26(24)14-13-25(23)33(27)31/h1-18H
InChIKeyKDNFDXFUBKRBMZ-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene?
The IUPAC name of nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene (CID 166446594) is nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene.
What is the SMILES notation for nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene?
The canonical SMILES for nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene is c1ccc2cc3c(cc2c1)c1ccc2c4ccc5c6cc7ccccc7cc6c5c4ccc2c13.
What is the InChIKey of nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene?
The InChIKey is KDNFDXFUBKRBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18/c1-3-7-21-17-31-29(15-19(21)5-1)27-11-9-23-24-10-12-28-30-16-20-6-2-4-8-22(20)18-32(30)34(28)26(24)14-13-25(23)33(27)31/h1-18H.
What are the key properties of nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene?
nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene has a molecular weight of 426.52 g/mol, XLogP of 9.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene is sourced from PubChem (CID 166446594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).