17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene

C62H33F12N3O4 — CID 164528122

IUPAC17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene
SMILESFC(F)(F)CC1(CC(F)(F)F)c2ccccc2Oc2c1ncc1c2c2c(-c3cccc4oc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c3c4c5c(ncc4n1c23)C(CC(F)(F)F)(CC(F)(F)F)c1ccccc1O5
InChIInChI=1S/C62H33F12N3O4/c63-59(64,65)26-57(27-60(66,67)68)36-15-3-7-19-42(36)80-53-50-38(24-75-55(53)57)77-39-25-76-56-54(81-43-20-8-4-16-37(43)58(56,28-61(69,70)71)29-62(72,73)74)51(39)49-35(31-14-10-22-45-47(31)33-12-2-6-18-41(33)79-45)23-34(48(50)52(49)77)30-13-9-21-44-46(30)32-11-1-5-17-40(32)78-44/h1-25H,26-29H2
InChIKeyTZFBXBQOZMXZCY-UHFFFAOYSA-N
MW1111.94 g/mol
LogP19.35
Rot. Bonds6

About 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene

17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene (PubChem CID 164528122) has the molecular formula C62H33F12N3O4 and a molecular weight of 1111.94 g/mol. Its IUPAC name is 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene.

Molecular Properties

Compound Name17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene
PubChem CID164528122
Molecular FormulaC62H33F12N3O4
Molecular Weight1111.94 g/mol
Exact Mass1111.23
IUPAC Name17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene
SMILESFC(F)(F)CC1(CC(F)(F)F)c2ccccc2Oc2c1ncc1c2c2c(-c3cccc4oc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c3c4c5c(ncc4n1c23)C(CC(F)(F)F)(CC(F)(F)F)c1ccccc1O5
InChIInChI=1S/C62H33F12N3O4/c63-59(64,65)26-57(27-60(66,67)68)36-15-3-7-19-42(36)80-53-50-38(24-75-55(53)57)77-39-25-76-56-54(81-43-20-8-4-16-37(43)58(56,28-61(69,70)71)29-62(72,73)74)51(39)49-35(31-14-10-22-45-47(31)33-12-2-6-18-41(33)79-45)23-34(48(50)52(49)77)30-13-9-21-44-46(30)32-11-1-5-17-40(32)78-44/h1-25H,26-29H2
InChIKeyTZFBXBQOZMXZCY-UHFFFAOYSA-N
XLogP19.35
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.94
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene with MolForge

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Related Compounds

16,18-di(dibenzofuran-1-yl)-1,4,30-triazaundecacyclo[17.13.1.16,10.18,12.122,26.124,28.02,14.05,13.015,33.020,32.021,29]heptatriaconta-2,4,13,15(33),16,18,20,29,31-nonaene
CID 171402800
24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene
CID 164527899
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591217
10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528253
13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 130327350
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
CID 153075401
4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole
CID 164740293
1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran
CID 155333739
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719

Frequently Asked Questions

What is the IUPAC name of 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene?
The IUPAC name of 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene (CID 164528122) is 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene.
What is the SMILES notation for 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene?
The canonical SMILES for 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene is FC(F)(F)CC1(CC(F)(F)F)c2ccccc2Oc2c1ncc1c2c2c(-c3cccc4oc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c3c4c5c(ncc4n1c23)C(CC(F)(F)F)(CC(F)(F)F)c1ccccc1O5.
What is the InChIKey of 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene?
The InChIKey is TZFBXBQOZMXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H33F12N3O4/c63-59(64,65)26-57(27-60(66,67)68)36-15-3-7-19-42(36)80-53-50-38(24-75-55(53)57)77-39-25-76-56-54(81-43-20-8-4-16-37(43)58(56,28-61(69,70)71)29-62(72,73)74)51(39)49-35(31-14-10-22-45-47(31)33-12-2-6-18-41(33)79-45)23-34(48(50)52(49)77)30-13-9-21-44-46(30)32-11-1-5-17-40(32)78-44/h1-25H,26-29H2.
What are the key properties of 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene?
17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene has a molecular weight of 1111.94 g/mol, XLogP of 19.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene is sourced from PubChem (CID 164528122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).