6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene

C23H14FN — CID 59622043

IUPAC6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
SMILESFc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C=C4)c2)cc1
InChIInChI=1S/C23H14FN/c24-20-11-9-15(10-12-20)17-4-1-5-18(13-17)22-14-19-8-7-16-3-2-6-21(25-22)23(16)19/h1-14H
InChIKeyAPFHUWWGANSQOJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP6.19
Rot. Bonds2

About 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene

6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene (PubChem CID 59622043) has the molecular formula C23H14FN and a molecular weight of 323.37 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
PubChem CID59622043
Molecular FormulaC23H14FN
Molecular Weight323.37 g/mol
Exact Mass323.11
IUPAC Name6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
SMILESFc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C=C4)c2)cc1
InChIInChI=1S/C23H14FN/c24-20-11-9-15(10-12-20)17-4-1-5-18(13-17)22-14-19-8-7-16-3-2-6-21(25-22)23(16)19/h1-14H
InChIKeyAPFHUWWGANSQOJ-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59622206
6-[3-(3,5-diphenylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;iridium
CID 59621695
6-[3-(4-ethenyl-2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621843
iridium;6-[3-(3-methylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621870
3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621439
3-[3-(4-bromophenyl)phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621656
6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;platinum
CID 59621960
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
6-(4-fluorophenyl)-2-phenylquinoline
CID 122365285
(Z)-4-hydroxypent-3-en-2-one;iridium;6-(3-phenylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621838
4-hydroxypent-3-en-2-one;iridium;6-(3-phenylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 149363015

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene (CID 59622043) is 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene is Fc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C=C4)c2)cc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is APFHUWWGANSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN/c24-20-11-9-15(10-12-20)17-4-1-5-18(13-17)22-14-19-8-7-16-3-2-6-21(25-22)23(16)19/h1-14H.
What are the key properties of 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 323.37 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 59622043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).