10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

C30H18F2N6 — CID 58202884

IUPAC10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
SMILESFc1ccc2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(F)ccc5c4n3)nc21
InChIInChI=1S/C30H18F2N6/c31-25-13-11-21-27(35-25)19-5-1-3-7-23(19)37-15-17(33-29(21)37)9-10-18-16-38-24-8-4-2-6-20(24)28-22(30(38)34-18)12-14-26(32)36-28/h1-8,11-16H,9-10H2
InChIKeyFIJWILBZVRNQNZ-UHFFFAOYSA-N
MW500.51 g/mol
LogP6.45
Rot. Bonds3

About 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (PubChem CID 58202884) has the molecular formula C30H18F2N6 and a molecular weight of 500.51 g/mol. Its IUPAC name is 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

Molecular Properties

Compound Name10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
PubChem CID58202884
Molecular FormulaC30H18F2N6
Molecular Weight500.51 g/mol
Exact Mass500.16
IUPAC Name10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
SMILESFc1ccc2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(F)ccc5c4n3)nc21
InChIInChI=1S/C30H18F2N6/c31-25-13-11-21-27(35-25)19-5-1-3-7-23(19)37-15-17(33-29(21)37)9-10-18-16-38-24-8-4-2-6-20(24)28-22(30(38)34-18)12-14-26(32)36-28/h1-8,11-16H,9-10H2
InChIKeyFIJWILBZVRNQNZ-UHFFFAOYSA-N
XLogP6.45
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene with MolForge

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Related Compounds

10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 140693827
4-[2-(2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 58202861
11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 58202854
4-[2-(2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-4-yl)ethyl]-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 58202809
7-methyl-2-[2-(7-methylimidazo[1,2-f]phenanthridin-2-yl)ethyl]imidazo[1,2-f]phenanthridine
CID 58202783
1,9,15-triazatetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6,8(13),9,11,14,17-octaen-16-one
CID 90254240
N,N-dimethyl-2-(2-phenylethyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25254339
trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane
CID 140693771
2,11-diiodoimidazo[1,2-f]phenanthridine
CID 135172312
imidazo[1,2-f]phenanthridin-2-yl(trimethyl)azanium
CID 58162682
7,10-difluoropyrazino[2,3-f][1,10]phenanthroline
CID 101184926
2-benzyl-7-methylimidazo[1,2-c]quinazolin-5-amine
CID 167675258

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The IUPAC name of 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (CID 58202884) is 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.
What is the SMILES notation for 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The canonical SMILES for 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is Fc1ccc2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(F)ccc5c4n3)nc21.
What is the InChIKey of 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The InChIKey is FIJWILBZVRNQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F2N6/c31-25-13-11-21-27(35-25)19-5-1-3-7-23(19)37-15-17(33-29(21)37)9-10-18-16-38-24-8-4-2-6-20(24)28-22(30(38)34-18)12-14-26(32)36-28/h1-8,11-16H,9-10H2.
What are the key properties of 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene has a molecular weight of 500.51 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is sourced from PubChem (CID 58202884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).