5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene

C22H14F2N2 — CID 132535021

IUPAC5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
SMILESCc1nc2cccc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c1n23
InChIInChI=1S/C22H14F2N2/c1-13-22-21(15-7-11-17(24)12-8-15)20(14-5-9-16(23)10-6-14)18-3-2-4-19(25-13)26(18)22/h2-12H,1H3
InChIKeyAASGIVKSBIWQFG-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.85
Rot. Bonds2

About 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene

5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene (PubChem CID 132535021) has the molecular formula C22H14F2N2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
PubChem CID132535021
Molecular FormulaC22H14F2N2
Molecular Weight344.36 g/mol
Exact Mass344.11
IUPAC Name5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
SMILESCc1nc2cccc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c1n23
InChIInChI=1S/C22H14F2N2/c1-13-22-21(15-7-11-17(24)12-8-15)20(14-5-9-16(23)10-6-14)18-3-2-4-19(25-13)26(18)22/h2-12H,1H3
InChIKeyAASGIVKSBIWQFG-UHFFFAOYSA-N
XLogP5.85
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
CID 122400259
6-bromo-3-(4-fluorophenyl)-2,5-dimethylimidazo[1,2-a]pyridine
CID 114835241
1-ethyl-4-(4-fluorophenyl)-3-methylimidazo[1,5-a]quinoxaline
CID 102501782
5-methyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-3-thione
CID 135810293
1-bromo-3-(4-fluorophenyl)-N,N-dimethylimidazo[1,5-a]pyridin-5-amine
CID 84745046
1-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-ol
CID 117250826
1-(5-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018891
1-bromo-8-fluoro-2-methylimidazo[1,2-a]quinoline
CID 115051375
4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole
CID 127028497
4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole
CID 58065749
2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;2-(4-fluorophenyl)-1-methylbenzimidazole;iridium
CID 158045917
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
The IUPAC name of 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene (CID 132535021) is 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene is Cc1nc2cccc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c1n23.
What is the InChIKey of 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
The InChIKey is AASGIVKSBIWQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2/c1-13-22-21(15-7-11-17(24)12-8-15)20(14-5-9-16(23)10-6-14)18-3-2-4-19(25-13)26(18)22/h2-12H,1H3.
What are the key properties of 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene has a molecular weight of 344.36 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 132535021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).