5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene

C36H15Cl3 — CID 11295859

IUPAC5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene
SMILESClc1ccc2cccc3c2c1c1c3c2c3c(Cl)ccc4cccc(c43)c2c2c3c(Cl)ccc4cccc(c43)c12
InChIInChI=1S/C36H15Cl3/c37-22-13-10-16-4-1-7-19-25(16)31(22)34-28(19)35-30(20-8-2-5-17-11-14-23(38)32(35)26(17)20)36-29(34)21-9-3-6-18-12-15-24(39)33(36)27(18)21/h1-15H
InChIKeyVBCJKCYBRSUSPR-UHFFFAOYSA-N
MW553.88 g/mol
LogP12.34
Rot. Bonds

About 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene

5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene (PubChem CID 11295859) has the molecular formula C36H15Cl3 and a molecular weight of 553.88 g/mol. Its IUPAC name is 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene.

Molecular Properties

Compound Name5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene
PubChem CID11295859
Molecular FormulaC36H15Cl3
Molecular Weight553.88 g/mol
Exact Mass552.02
IUPAC Name5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene
SMILESClc1ccc2cccc3c2c1c1c3c2c3c(Cl)ccc4cccc(c43)c2c2c3c(Cl)ccc4cccc(c43)c12
InChIInChI=1S/C36H15Cl3/c37-22-13-10-16-4-1-7-19-25(16)31(22)34-28(19)35-30(20-8-2-5-17-11-14-23(38)32(35)26(17)20)36-29(34)21-9-3-6-18-12-15-24(39)33(36)27(18)21/h1-15H
InChIKeyVBCJKCYBRSUSPR-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.88
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene?
The IUPAC name of 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene (CID 11295859) is 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene.
What is the SMILES notation for 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene?
The canonical SMILES for 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene is Clc1ccc2cccc3c2c1c1c3c2c3c(Cl)ccc4cccc(c43)c2c2c3c(Cl)ccc4cccc(c43)c12.
What is the InChIKey of 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene?
The InChIKey is VBCJKCYBRSUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H15Cl3/c37-22-13-10-16-4-1-7-19-25(16)31(22)34-28(19)35-30(20-8-2-5-17-11-14-23(38)32(35)26(17)20)36-29(34)21-9-3-6-18-12-15-24(39)33(36)27(18)21/h1-15H.
What are the key properties of 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene?
5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene has a molecular weight of 553.88 g/mol, XLogP of 12.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,16,27-trichlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene is sourced from PubChem (CID 11295859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).