5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene

C54H32F6 — CID 164933404

About 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene

5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene (PubChem CID 164933404) has the molecular formula C54H32F6 and a molecular weight of 794.84 g/mol. Its IUPAC name is 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene.

Molecular Properties

• Compound Name: 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene
• PubChem CID: 164933404
• Molecular Formula: C54H32F6
• Molecular Weight: 794.84 g/mol
• Exact Mass: 794.24
• IUPAC Name: 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene
• SMILES: Cc1cc2c3c(cc(C)cc3c1)-c1c-2cc2c(-c3ccc(C(F)(F)F)cc3)cc3c4c(cc5c(-c6ccc(C(F)(F)F)cc6)cc1c2c53)-c1cc(C)cc2cc(C)cc-4c12
• InChI: InChI=1S/C54H32F6/c1-25-13-31-15-27(3)19-43-47(31)37(17-25)41-23-39-35(29-5-9-33(10-6-29)53(55,56)57)22-46-50-42(38-18-26(2)14-32-16-28(4)20-44(50)48(32)38)24-40-36(21-45(49(41)43)51(39)52(40)46)30-7-11-34(12-8-30)54(58,59)60/h5-24H,1-4H3
• InChIKey: RZHGCOWAHWYDMM-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.84
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene?

The IUPAC name of 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene (CID 164933404) is 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene.

What is the SMILES notation for 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene?

The canonical SMILES for 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene is Cc1cc2c3c(cc(C)cc3c1)-c1c-2cc2c(-c3ccc(C(F)(F)F)cc3)cc3c4c(cc5c(-c6ccc(C(F)(F)F)cc6)cc1c2c53)-c1cc(C)cc2cc(C)cc-4c12.

What is the InChIKey of 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene?

The InChIKey is RZHGCOWAHWYDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32F6/c1-25-13-31-15-27(3)19-43-47(31)37(17-25)41-23-39-35(29-5-9-33(10-6-29)53(55,56)57)22-46-50-42(38-18-26(2)14-32-16-28(4)20-44(50)48(32)38)24-40-36(21-45(49(41)43)51(39)52(40)46)30-7-11-34(12-8-30)54(58,59)60/h5-24H,1-4H3.

What are the key properties of 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene?

5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene has a molecular weight of 794.84 g/mol, XLogP of 16.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,9,21,25-tetramethyl-15,31-bis[4-(trifluoromethyl)phenyl]decacyclo[15.15.2.13,7.119,23.02,12.014,33.018,28.030,34.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14(33),15,17,19,21,23(35),24,26,28,30(34),31-octadecaene is sourced from PubChem (CID 164933404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).