10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C26H6F8N2O4 — CID 25222261

IUPAC10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESCN1C(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c(c2c37)C1=O)c64)C(=O)N(C)C5=O
InChIInChI=1S/C26H6F8N2O4/c1-35-23(37)11-5-3-7(15(27)19(11)31)9-4-6-13(21(33)17(9)29)25(39)36(2)26(40)14(6)22(34)18(30)10(4)8(3)16(28)20(32)12(5)24(35)38/h1-2H3
InChIKeyYSXDHFBFUOCENT-UHFFFAOYSA-N
MW562.33 g/mol
LogP5.30
Rot. Bonds

About 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 25222261) has the molecular formula C26H6F8N2O4 and a molecular weight of 562.33 g/mol. Its IUPAC name is 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
PubChem CID25222261
Molecular FormulaC26H6F8N2O4
Molecular Weight562.33 g/mol
Exact Mass562.02
IUPAC Name10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESCN1C(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c(c2c37)C1=O)c64)C(=O)N(C)C5=O
InChIInChI=1S/C26H6F8N2O4/c1-35-23(37)11-5-3-7(15(27)19(11)31)9-4-6-13(21(33)17(9)29)25(39)36(2)26(40)14(6)22(34)18(30)10(4)8(3)16(28)20(32)12(5)24(35)38/h1-2H3
InChIKeyYSXDHFBFUOCENT-UHFFFAOYSA-N
XLogP5.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.33
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone with MolForge

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Related Compounds

2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
CID 79657
Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
CID 105396
7,18-Bis[2-(dimethylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 3446426
15-[3-[3-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)propyl-methylamino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10841360
Trimethyl(2-{6,8,17,19-tetraoxo-18-[2-(trimethylazaniumyl)ethyl]-7,18-diazaheptacyclo[14.6.2.2^{2,5}.0^{3,12}.0^{4,9}.0^{13,23}.0^{20,24}]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl}ethyl)azanium
CID 14573901
Ptcdi-C8
CID 10722480
2,9-Dihexylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone
CID 12662880
5-(3,4-Difluorophenyl)-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 25183789
2,9-Bis(3-(dimethylamino)propyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
CID 3555371
2,9-Dibenzyl-anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10-tetrone
CID 10555069
N,N'-Dipentyl-3,4,9,10-perylenedicarboximide
CID 12662879
HepPTC
CID 14618067

Frequently Asked Questions

What is the IUPAC name of 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 25222261) is 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is CN1C(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c(c2c37)C1=O)c64)C(=O)N(C)C5=O.
What is the InChIKey of 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The InChIKey is YSXDHFBFUOCENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H6F8N2O4/c1-35-23(37)11-5-3-7(15(27)19(11)31)9-4-6-13(21(33)17(9)29)25(39)36(2)26(40)14(6)22(34)18(30)10(4)8(3)16(28)20(32)12(5)24(35)38/h1-2H3.
What are the key properties of 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 562.33 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,14,15,21,22,25,26-octafluoro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 25222261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).