6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene

C30H8F12N4 — CID 59167597

IUPAC6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
SMILESFC(F)(F)c1cc2nc3c(nc2cc1C(F)(F)F)-c1ccc2c4c(ccc-3c14)-c1nc3cc(C(F)(F)F)c(C(F)(F)F)cc3nc1-2
InChIInChI=1S/C30H8F12N4/c31-27(32,33)13-5-17-18(6-14(13)28(34,35)36)45-25-11-3-4-12-22-10(2-1-9(21(11)22)23(25)43-17)24-26(12)46-20-8-16(30(40,41)42)15(29(37,38)39)7-19(20)44-24/h1-8H
InChIKeySAXOEYMRAOIICL-UHFFFAOYSA-N
MW652.40 g/mol
LogP10.10
Rot. Bonds

About 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene

6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene (PubChem CID 59167597) has the molecular formula C30H8F12N4 and a molecular weight of 652.40 g/mol. Its IUPAC name is 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene.

Molecular Properties

Compound Name6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
PubChem CID59167597
Molecular FormulaC30H8F12N4
Molecular Weight652.40 g/mol
Exact Mass652.06
IUPAC Name6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
SMILESFC(F)(F)c1cc2nc3c(nc2cc1C(F)(F)F)-c1ccc2c4c(ccc-3c14)-c1nc3cc(C(F)(F)F)c(C(F)(F)F)cc3nc1-2
InChIInChI=1S/C30H8F12N4/c31-27(32,33)13-5-17-18(6-14(13)28(34,35)36)45-25-11-3-4-12-22-10(2-1-9(21(11)22)23(25)43-17)24-26(12)46-20-8-16(30(40,41)42)15(29(37,38)39)7-19(20)44-24/h1-8H
InChIKeySAXOEYMRAOIICL-UHFFFAOYSA-N
XLogP10.10
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.40
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene 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 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
The IUPAC name of 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene (CID 59167597) is 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene.
What is the SMILES notation for 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
The canonical SMILES for 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene is FC(F)(F)c1cc2nc3c(nc2cc1C(F)(F)F)-c1ccc2c4c(ccc-3c14)-c1nc3cc(C(F)(F)F)c(C(F)(F)F)cc3nc1-2.
What is the InChIKey of 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
The InChIKey is SAXOEYMRAOIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H8F12N4/c31-27(32,33)13-5-17-18(6-14(13)28(34,35)36)45-25-11-3-4-12-22-10(2-1-9(21(11)22)23(25)43-17)24-26(12)46-20-8-16(30(40,41)42)15(29(37,38)39)7-19(20)44-24/h1-8H.
What are the key properties of 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene?
6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene has a molecular weight of 652.40 g/mol, XLogP of 10.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,20,21-tetrakis(trifluoromethyl)-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene is sourced from PubChem (CID 59167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).