7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene

C30H10F4N4 — CID 59167633

IUPAC7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene
SMILESFc1cc2nc3c4cccc5c4c(c4cccc6c7nc8cc(F)c(F)cc8nc7c5c64)c3nc2cc1F
InChIInChI=1S/C30H10F4N4/c31-15-7-19-21(9-17(15)33)38-30-26-12-4-2-6-14-24(12)25(11-3-1-5-13(23(11)26)27(30)35-19)29-28(14)36-20-8-16(32)18(34)10-22(20)37-29/h1-10H
InChIKeyWVEFVLIDSFMRNG-UHFFFAOYSA-N
MW502.43 g/mol
LogP7.92
Rot. Bonds

About 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene

7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene (PubChem CID 59167633) has the molecular formula C30H10F4N4 and a molecular weight of 502.43 g/mol. Its IUPAC name is 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene.

Molecular Properties

Compound Name7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene
PubChem CID59167633
Molecular FormulaC30H10F4N4
Molecular Weight502.43 g/mol
Exact Mass502.08
IUPAC Name7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene
SMILESFc1cc2nc3c4cccc5c4c(c4cccc6c7nc8cc(F)c(F)cc8nc7c5c64)c3nc2cc1F
InChIInChI=1S/C30H10F4N4/c31-15-7-19-21(9-17(15)33)38-30-26-12-4-2-6-14-24(12)25(11-3-1-5-13(23(11)26)27(30)35-19)29-28(14)36-20-8-16(32)18(34)10-22(20)37-29/h1-10H
InChIKeyWVEFVLIDSFMRNG-UHFFFAOYSA-N
XLogP7.92
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.43
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene?
The IUPAC name of 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene (CID 59167633) is 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene.
What is the SMILES notation for 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene?
The canonical SMILES for 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene is Fc1cc2nc3c4cccc5c4c(c4cccc6c7nc8cc(F)c(F)cc8nc7c5c64)c3nc2cc1F.
What is the InChIKey of 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene?
The InChIKey is WVEFVLIDSFMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H10F4N4/c31-15-7-19-21(9-17(15)33)38-30-26-12-4-2-6-14-24(12)25(11-3-1-5-13(23(11)26)27(30)35-19)29-28(14)36-20-8-16(32)18(34)10-22(20)37-29/h1-10H.
What are the key properties of 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene?
7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene has a molecular weight of 502.43 g/mol, XLogP of 7.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,23,24-tetrafluoro-4,11,20,27-tetrazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1,3,5,7,9,11,13,15,17(34),18(33),19,21,23,25,27,29,31-heptadecaene is sourced from PubChem (CID 59167633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).