8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine

C24H23F4N3O4 — CID 10028646

IUPAC8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine
SMILESNc1ccc2c(c1)OCCNc1cc(F)c(F)cc1OCCOc1cc(F)c(F)cc1NCCO2
InChIInChI=1S/C24H23F4N3O4/c25-15-10-19-22(12-17(15)27)34-7-8-35-23-13-18(28)16(26)11-20(23)31-4-6-33-24-9-14(29)1-2-21(24)32-5-3-30-19/h1-2,9-13,30-31H,3-8,29H2
InChIKeyXWILGMGCGVCNSZ-UHFFFAOYSA-N
MW493.46 g/mol
LogP4.58
Rot. Bonds

About 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine

8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine (PubChem CID 10028646) has the molecular formula C24H23F4N3O4 and a molecular weight of 493.46 g/mol. Its IUPAC name is 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine.

Molecular Properties

Compound Name8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine
PubChem CID10028646
Molecular FormulaC24H23F4N3O4
Molecular Weight493.46 g/mol
Exact Mass493.16
IUPAC Name8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine
SMILESNc1ccc2c(c1)OCCNc1cc(F)c(F)cc1OCCOc1cc(F)c(F)cc1NCCO2
InChIInChI=1S/C24H23F4N3O4/c25-15-10-19-22(12-17(15)27)34-7-8-35-23-13-18(28)16(26)11-20(23)31-4-6-33-24-9-14(29)1-2-21(24)32-5-3-30-19/h1-2,9-13,30-31H,3-8,29H2
InChIKeyXWILGMGCGVCNSZ-UHFFFAOYSA-N
XLogP4.58
TPSA87.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine?
The IUPAC name of 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine (CID 10028646) is 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine.
What is the SMILES notation for 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine?
The canonical SMILES for 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine is Nc1ccc2c(c1)OCCNc1cc(F)c(F)cc1OCCOc1cc(F)c(F)cc1NCCO2.
What is the InChIKey of 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine?
The InChIKey is XWILGMGCGVCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O4/c25-15-10-19-22(12-17(15)27)34-7-8-35-23-13-18(28)16(26)11-20(23)31-4-6-33-24-9-14(29)1-2-21(24)32-5-3-30-19/h1-2,9-13,30-31H,3-8,29H2.
What are the key properties of 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine?
8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine has a molecular weight of 493.46 g/mol, XLogP of 4.58, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine is sourced from PubChem (CID 10028646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).