10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione

C30H12F2N4O2 — CID 59413320

IUPAC10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione
SMILESO=c1c2cc3c(cc2c2nc4cc5cc(F)ccc5cc4n12)c(=O)n1c2cc4cc(F)ccc4cc2nc31
InChIInChI=1S/C30H12F2N4O2/c31-17-4-2-14-9-25-24(8-15(14)5-17)34-28-20-12-22-19(11-21(20)29(37)35(25)28)27-33-23-7-13-1-3-18(32)6-16(13)10-26(23)36(27)30(22)38/h1-12H
InChIKeyOXHUTHHRFVGUPM-UHFFFAOYSA-N
MW498.45 g/mol
LogP5.78
Rot. Bonds

About 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione

10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione (PubChem CID 59413320) has the molecular formula C30H12F2N4O2 and a molecular weight of 498.45 g/mol. Its IUPAC name is 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione.

Molecular Properties

Compound Name10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione
PubChem CID59413320
Molecular FormulaC30H12F2N4O2
Molecular Weight498.45 g/mol
Exact Mass498.09
IUPAC Name10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione
SMILESO=c1c2cc3c(cc2c2nc4cc5cc(F)ccc5cc4n12)c(=O)n1c2cc4cc(F)ccc4cc2nc31
InChIInChI=1S/C30H12F2N4O2/c31-17-4-2-14-9-25-24(8-15(14)5-17)34-28-20-12-22-19(11-21(20)29(37)35(25)28)27-33-23-7-13-1-3-18(32)6-16(13)10-26(23)36(27)30(22)38/h1-12H
InChIKeyOXHUTHHRFVGUPM-UHFFFAOYSA-N
XLogP5.78
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione?
The IUPAC name of 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione (CID 59413320) is 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione.
What is the SMILES notation for 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione?
The canonical SMILES for 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione is O=c1c2cc3c(cc2c2nc4cc5cc(F)ccc5cc4n12)c(=O)n1c2cc4cc(F)ccc4cc2nc31.
What is the InChIKey of 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione?
The InChIKey is OXHUTHHRFVGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H12F2N4O2/c31-17-4-2-14-9-25-24(8-15(14)5-17)34-28-20-12-22-19(11-21(20)29(37)35(25)28)27-33-23-7-13-1-3-18(32)6-16(13)10-26(23)36(27)30(22)38/h1-12H.
What are the key properties of 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione?
10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione has a molecular weight of 498.45 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,28-difluoro-5,16,22,33-tetrazanonacyclo[18.14.0.03,18.04,16.06,15.08,13.021,33.023,32.025,30]tetratriaconta-1,3(18),4,6(15),7,9,11,13,19,21,23(32),24,26,28,30-pentadecaene-17,34-dione is sourced from PubChem (CID 59413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).