decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane

C38H24 — CID 91325291

IUPACdecacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane
SMILESCC.c1ccc2c(c1)=c1ccc3c4ccc5c6c(ccc(c7ccc=2c1c37)c64)=c1cc2ccccc2cc1=5
InChIInChI=1S/C36H18.C2H6/c1-2-6-20-18-32-30-16-14-28-26-12-10-24-22-8-4-3-7-21(22)23-9-11-25(34(26)33(23)24)27-13-15-29(36(30)35(27)28)31(32)17-19(20)5-1;1-2/h1-18H;1-2H3
InChIKeyYNLXIYDFFUOZQD-UHFFFAOYSA-N
MW480.61 g/mol
LogP9.69
Rot. Bonds

About decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane

decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane (PubChem CID 91325291) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane.

Molecular Properties

Compound Namedecacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane
PubChem CID91325291
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Namedecacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane
SMILESCC.c1ccc2c(c1)=c1ccc3c4ccc5c6c(ccc(c7ccc=2c1c37)c64)=c1cc2ccccc2cc1=5
InChIInChI=1S/C36H18.C2H6/c1-2-6-20-18-32-30-16-14-28-26-12-10-24-22-8-4-3-7-21(22)23-9-11-25(34(26)33(23)24)27-13-15-29(36(30)35(27)28)31(32)17-19(20)5-1;1-2/h1-18H;1-2H3
InChIKeyYNLXIYDFFUOZQD-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane?
The IUPAC name of decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane (CID 91325291) is decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane.
What is the SMILES notation for decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane?
The canonical SMILES for decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane is CC.c1ccc2c(c1)=c1ccc3c4ccc5c6c(ccc(c7ccc=2c1c37)c64)=c1cc2ccccc2cc1=5.
What is the InChIKey of decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane?
The InChIKey is YNLXIYDFFUOZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H18.C2H6/c1-2-6-20-18-32-30-16-14-28-26-12-10-24-22-8-4-3-7-21(22)23-9-11-25(34(26)33(23)24)27-13-15-29(36(30)35(27)28)31(32)17-19(20)5-1;1-2/h1-18H;1-2H3.
What are the key properties of decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane?
decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane has a molecular weight of 480.61 g/mol, XLogP of 9.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane is sourced from PubChem (CID 91325291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).