5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

C30H14F2N2O2 — CID 172539494

IUPAC5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
SMILESFc1ccc2c(c1)c1c3oc4ccccc4n4c5ccc(F)cc5c(c5oc6ccccc6n2c51)c34
InChIInChI=1S/C30H14F2N2O2/c31-15-9-11-19-17(13-15)25-27-29(35-23-7-3-1-5-21(23)33(19)27)26-18-14-16(32)10-12-20(18)34-22-6-2-4-8-24(22)36-30(25)28(26)34/h1-14H
InChIKeyVAESPWXWWFJRMY-UHFFFAOYSA-N
MW472.45 g/mol
LogP8.58
Rot. Bonds

About 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (PubChem CID 172539494) has the molecular formula C30H14F2N2O2 and a molecular weight of 472.45 g/mol. Its IUPAC name is 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.

Molecular Properties

Compound Name5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
PubChem CID172539494
Molecular FormulaC30H14F2N2O2
Molecular Weight472.45 g/mol
Exact Mass472.10
IUPAC Name5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
SMILESFc1ccc2c(c1)c1c3oc4ccccc4n4c5ccc(F)cc5c(c5oc6ccccc6n2c51)c34
InChIInChI=1S/C30H14F2N2O2/c31-15-9-11-19-17(13-15)25-27-29(35-23-7-3-1-5-21(23)33(19)27)26-18-14-16(32)10-12-20(18)34-22-6-2-4-8-24(22)36-30(25)28(26)34/h1-14H
InChIKeyVAESPWXWWFJRMY-UHFFFAOYSA-N
XLogP8.58
TPSA35.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene with MolForge

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Related Compounds

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CID 155650161

Frequently Asked Questions

What is the IUPAC name of 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
The IUPAC name of 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (CID 172539494) is 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.
What is the SMILES notation for 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
The canonical SMILES for 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is Fc1ccc2c(c1)c1c3oc4ccccc4n4c5ccc(F)cc5c(c5oc6ccccc6n2c51)c34.
What is the InChIKey of 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
The InChIKey is VAESPWXWWFJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14F2N2O2/c31-15-9-11-19-17(13-15)25-27-29(35-23-7-3-1-5-21(23)33(19)27)26-18-14-16(32)10-12-20(18)34-22-6-2-4-8-24(22)36-30(25)28(26)34/h1-14H.
What are the key properties of 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene has a molecular weight of 472.45 g/mol, XLogP of 8.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,21-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is sourced from PubChem (CID 172539494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).