(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

C40H24 — CID 11966293

IUPAC(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
SMILESc1ccc2cc3/c(cc2c1)=c1/cc2ccccc2c/c1=c1\cc2ccccc2c\c1=c1/cc2ccccc2c/c1=3
InChIInChI=1S/C40H24/c1-2-10-26-18-34-33(17-25(26)9-1)35-19-27-11-3-4-13-29(27)21-37(35)39-23-31-15-7-8-16-32(31)24-40(39)38-22-30-14-6-5-12-28(30)20-36(34)38/h1-24H/b35-33-,36-34-,39-37-,40-38-
InChIKeyFXHSCLHPAXBJGN-VRPJMXLBSA-N
MW504.63 g/mol
LogP9.76
Rot. Bonds

About (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (PubChem CID 11966293) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.

Molecular Properties

Compound Name(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
PubChem CID11966293
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
SMILESc1ccc2cc3/c(cc2c1)=c1/cc2ccccc2c/c1=c1\cc2ccccc2c\c1=c1/cc2ccccc2c/c1=3
InChIInChI=1S/C40H24/c1-2-10-26-18-34-33(17-25(26)9-1)35-19-27-11-3-4-13-29(27)21-37(35)39-23-31-15-7-8-16-32(31)24-40(39)38-22-30-14-6-5-12-28(30)20-36(34)38/h1-24H/b35-33-,36-34-,39-37-,40-38-
InChIKeyFXHSCLHPAXBJGN-VRPJMXLBSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The IUPAC name of (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (CID 11966293) is (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.
What is the SMILES notation for (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The canonical SMILES for (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is c1ccc2cc3/c(cc2c1)=c1/cc2ccccc2c/c1=c1\cc2ccccc2c\c1=c1/cc2ccccc2c/c1=3.
What is the InChIKey of (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The InChIKey is FXHSCLHPAXBJGN-VRPJMXLBSA-N. The full InChI is InChI=1S/C40H24/c1-2-10-26-18-34-33(17-25(26)9-1)35-19-27-11-3-4-13-29(27)21-37(35)39-23-31-15-7-8-16-32(31)24-40(39)38-22-30-14-6-5-12-28(30)20-36(34)38/h1-24H/b35-33-,36-34-,39-37-,40-38-.
What are the key properties of (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene has a molecular weight of 504.63 g/mol, XLogP of 9.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is sourced from PubChem (CID 11966293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).