2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

C37H21F3N4 — CID 137270161

IUPAC2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
SMILESFC(F)(F)c1c2nc(cc3[nH]c(cc4nc(cc5[nH]c1c1ccccc51)-c1ccccc1-4)c1ccccc31)-c1ccccc1-2
InChIInChI=1S/C37H21F3N4/c38-37(39,40)34-35-26-15-7-5-13-24(26)32(43-35)18-30-22-11-3-1-9-20(22)28(41-30)17-29-21-10-2-4-12-23(21)31(42-29)19-33-25-14-6-8-16-27(25)36(34)44-33/h1-19,41,44H/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+
InChIKeyAZDZVELWYFUHKO-WMUZRJHQSA-N
MW578.60 g/mol
LogP10.31
Rot. Bonds

About 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 137270161) has the molecular formula C37H21F3N4 and a molecular weight of 578.60 g/mol. Its IUPAC name is 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

Compound Name2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
PubChem CID137270161
Molecular FormulaC37H21F3N4
Molecular Weight578.60 g/mol
Exact Mass578.17
IUPAC Name2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
SMILESFC(F)(F)c1c2nc(cc3[nH]c(cc4nc(cc5[nH]c1c1ccccc51)-c1ccccc1-4)c1ccccc31)-c1ccccc1-2
InChIInChI=1S/C37H21F3N4/c38-37(39,40)34-35-26-15-7-5-13-24(26)32(43-35)18-30-22-11-3-1-9-20(22)28(41-30)17-29-21-10-2-4-12-23(21)31(42-29)19-33-25-14-6-8-16-27(25)36(34)44-33/h1-19,41,44H/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+
InChIKeyAZDZVELWYFUHKO-WMUZRJHQSA-N
XLogP10.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.60
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene with MolForge

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Related Compounds

37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
CID 135437216
2-(2-phenylethynyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 137252225
2,20-bis(4-bromophenyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
CID 136688369
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
5-tert-butyl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 136823596
14-tert-butyl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 136823593
2-methyl-1-(trifluoromethyl)-9H-carbazole
CID 173176935
2-(4-pentylphenyl)-20-phenyl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 177411684
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
CID 140854140
6,15,24,33-tetrathiophen-2-yl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
CID 136727664
12-naphthalen-1-yl-7-(trifluoromethyl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 172794735

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
The IUPAC name of 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (CID 137270161) is 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.
What is the SMILES notation for 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
The canonical SMILES for 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is FC(F)(F)c1c2nc(cc3[nH]c(cc4nc(cc5[nH]c1c1ccccc51)-c1ccccc1-4)c1ccccc31)-c1ccccc1-2.
What is the InChIKey of 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
The InChIKey is AZDZVELWYFUHKO-WMUZRJHQSA-N. The full InChI is InChI=1S/C37H21F3N4/c38-37(39,40)34-35-26-15-7-5-13-24(26)32(43-35)18-30-22-11-3-1-9-20(22)28(41-30)17-29-21-10-2-4-12-23(21)31(42-29)19-33-25-14-6-8-16-27(25)36(34)44-33/h1-19,41,44H/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+.
What are the key properties of 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 578.60 g/mol, XLogP of 10.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 137270161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).