16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene

C36H14F12N4 — CID 59167621

About 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene

16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene (PubChem CID 59167621) has the molecular formula C36H14F12N4 and a molecular weight of 730.51 g/mol. Its IUPAC name is 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene.

Molecular Properties

• Compound Name: 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene
• PubChem CID: 59167621
• Molecular Formula: C36H14F12N4
• Molecular Weight: 730.51 g/mol
• Exact Mass: 730.10
• IUPAC Name: 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene
• SMILES: Cc1ccc2c3nc4cc(C(F)(F)F)c(C(F)(F)F)cc4nc3c3c4c(C)ccc5c6nc7cc(C(F)(F)F)c(C(F)(F)F)cc7nc6c(c1c23)c54
• InChI: InChI=1S/C36H14F12N4/c1-11-3-5-13-25-23(11)27-26-14(30-31(27)51-21-9-17(35(43,44)45)15(33(37,38)39)7-19(21)50-30)6-4-12(2)24(26)28(25)32-29(13)49-20-8-16(34(40,41)42)18(36(46,47)48)10-22(20)52-32/h3-10H,1-2H3
• InChIKey: XOBUIPLKWRNDLW-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.51
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene?

The IUPAC name of 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene (CID 59167621) is 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene.

What is the SMILES notation for 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene?

The canonical SMILES for 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene is Cc1ccc2c3nc4cc(C(F)(F)F)c(C(F)(F)F)cc4nc3c3c4c(C)ccc5c6nc7cc(C(F)(F)F)c(C(F)(F)F)cc7nc6c(c1c23)c54.

What is the InChIKey of 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene?

The InChIKey is XOBUIPLKWRNDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H14F12N4/c1-11-3-5-13-25-23(11)27-26-14(30-31(27)51-21-9-17(35(43,44)45)15(33(37,38)39)7-19(21)50-30)6-4-12(2)24(26)28(25)32-29(13)49-20-8-16(34(40,41)42)18(36(46,47)48)10-22(20)52-32/h3-10H,1-2H3.

What are the key properties of 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene?

16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene has a molecular weight of 730.51 g/mol, XLogP of 12.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16,32-dimethyl-7,8,23,24-tetrakis(trifluoromethyl)-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),2(34),3,5(10),6,8,11,13,15,17,19,21(26),22,24,27,29(33),30-heptadecaene is sourced from PubChem (CID 59167621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).