decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene

C36H24 — CID 15760753

IUPACdecacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene
SMILESc1ccc2c(c1)C1c3ccccc3C2C23C4c5ccccc5C2c2ccccc2C13c1ccccc14
InChIInChI=1S/C36H24/c1-3-13-23-21(11-1)31-22-12-2-4-14-24(22)32(23)36-33-25-15-5-6-16-26(25)34(36)28-18-8-10-20-30(28)35(31,36)29-19-9-7-17-27(29)33/h1-20,31-34H
InChIKeyXCVKLIXKUZLFBA-UHFFFAOYSA-N
MW456.59 g/mol
LogP7.85
Rot. Bonds

About decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene

decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene (PubChem CID 15760753) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene.

Molecular Properties

Compound Namedecacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene
PubChem CID15760753
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Namedecacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene
SMILESc1ccc2c(c1)C1c3ccccc3C2C23C4c5ccccc5C2c2ccccc2C13c1ccccc14
InChIInChI=1S/C36H24/c1-3-13-23-21(11-1)31-22-12-2-4-14-24(22)32(23)36-33-25-15-5-6-16-26(25)34(36)28-18-8-10-20-30(28)35(31,36)29-19-9-7-17-27(29)33/h1-20,31-34H
InChIKeyXCVKLIXKUZLFBA-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene with MolForge

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Related Compounds

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CID 16158722
Anthracene photodimer
CID 137122
7,14,25,32-Tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 16149343

Frequently Asked Questions

What is the IUPAC name of decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene?
The IUPAC name of decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene (CID 15760753) is decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene.
What is the SMILES notation for decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene?
The canonical SMILES for decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene is c1ccc2c(c1)C1c3ccccc3C2C23C4c5ccccc5C2c2ccccc2C13c1ccccc14.
What is the InChIKey of decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene?
The InChIKey is XCVKLIXKUZLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-3-13-23-21(11-1)31-22-12-2-4-14-24(22)32(23)36-33-25-15-5-6-16-26(25)34(36)28-18-8-10-20-30(28)35(31,36)29-19-9-7-17-27(29)33/h1-20,31-34H.
What are the key properties of decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene?
decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene has a molecular weight of 456.59 g/mol, XLogP of 7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene is sourced from PubChem (CID 15760753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).