6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene

C24H4F12N10 — CID 58084875

IUPAC6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene
SMILESFC(F)(F)c1nc2nc3c4nc5ccccc5nc4c4nc5nc(C(F)(F)F)c(C(F)(F)F)nc5nc4c3nc2nc1C(F)(F)F
InChIInChI=1S/C24H4F12N10/c25-21(26,27)13-15(23(31,32)33)45-19-17(43-13)39-9-7-8(38-6-4-2-1-3-5(6)37-7)10-12(11(9)41-19)42-20-18(40-10)44-14(22(28,29)30)16(46-20)24(34,35)36/h1-4H
InChIKeyCARGNRFERFNFMF-UHFFFAOYSA-N
MW660.34 g/mol
LogP6.63
Rot. Bonds

About 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene

6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene (PubChem CID 58084875) has the molecular formula C24H4F12N10 and a molecular weight of 660.34 g/mol. Its IUPAC name is 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene.

Molecular Properties

Compound Name6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene
PubChem CID58084875
Molecular FormulaC24H4F12N10
Molecular Weight660.34 g/mol
Exact Mass660.04
IUPAC Name6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene
SMILESFC(F)(F)c1nc2nc3c4nc5ccccc5nc4c4nc5nc(C(F)(F)F)c(C(F)(F)F)nc5nc4c3nc2nc1C(F)(F)F
InChIInChI=1S/C24H4F12N10/c25-21(26,27)13-15(23(31,32)33)45-19-17(43-13)39-9-7-8(38-6-4-2-1-3-5(6)37-7)10-12(11(9)41-19)42-20-18(40-10)44-14(22(28,29)30)16(46-20)24(34,35)36/h1-4H
InChIKeyCARGNRFERFNFMF-UHFFFAOYSA-N
XLogP6.63
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.34
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene?
The IUPAC name of 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene (CID 58084875) is 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene.
What is the SMILES notation for 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene?
The canonical SMILES for 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene is FC(F)(F)c1nc2nc3c4nc5ccccc5nc4c4nc5nc(C(F)(F)F)c(C(F)(F)F)nc5nc4c3nc2nc1C(F)(F)F.
What is the InChIKey of 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene?
The InChIKey is CARGNRFERFNFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H4F12N10/c25-21(26,27)13-15(23(31,32)33)45-19-17(43-13)39-9-7-8(38-6-4-2-1-3-5(6)37-7)10-12(11(9)41-19)42-20-18(40-10)44-14(22(28,29)30)16(46-20)24(34,35)36/h1-4H.
What are the key properties of 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene?
6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene has a molecular weight of 660.34 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,16,17-tetrakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28-pentadecaene is sourced from PubChem (CID 58084875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).