11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene

C24H22F2N2 — CID 58375489

IUPAC11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
SMILESC=C1NN=C2C3=C1CCCC3CC(c1ccc(F)cc1)C2c1ccc(F)cc1
InChIInChI=1S/C24H22F2N2/c1-14-20-4-2-3-17-13-21(15-5-9-18(25)10-6-15)22(24(23(17)20)28-27-14)16-7-11-19(26)12-8-16/h5-12,17,21-22,27H,1-4,13H2
InChIKeyYRJKRZFVMIRXSW-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.81
Rot. Bonds2

About 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene

11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene (PubChem CID 58375489) has the molecular formula C24H22F2N2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene.

Molecular Properties

Compound Name11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
PubChem CID58375489
Molecular FormulaC24H22F2N2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
SMILESC=C1NN=C2C3=C1CCCC3CC(c1ccc(F)cc1)C2c1ccc(F)cc1
InChIInChI=1S/C24H22F2N2/c1-14-20-4-2-3-17-13-21(15-5-9-18(25)10-6-15)22(24(23(17)20)28-27-14)16-7-11-19(26)12-8-16/h5-12,17,21-22,27H,1-4,13H2
InChIKeyYRJKRZFVMIRXSW-UHFFFAOYSA-N
XLogP5.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-(4-fluorophenyl)-4-methylidene-12-(3H-pyrrol-2-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
CID 58375459
11,12-Bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
CID 58377434
4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine
CID 88987139
4-(1-Cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole
CID 91468261
3,4,6-Triphenyl-1,4-dihydropyridazine
CID 425165
4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
CID 58375469
4-methylidene-11-phenyl-12-(3H-pyrrol-2-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
CID 58375471
4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
CID 58377428
(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine
CID 2342634
7-Methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
CID 157293686

Frequently Asked Questions

What is the IUPAC name of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene?
The IUPAC name of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene (CID 58375489) is 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene.
What is the SMILES notation for 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene?
The canonical SMILES for 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene is C=C1NN=C2C3=C1CCCC3CC(c1ccc(F)cc1)C2c1ccc(F)cc1.
What is the InChIKey of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene?
The InChIKey is YRJKRZFVMIRXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2/c1-14-20-4-2-3-17-13-21(15-5-9-18(25)10-6-15)22(24(23(17)20)28-27-14)16-7-11-19(26)12-8-16/h5-12,17,21-22,27H,1-4,13H2.
What are the key properties of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene?
11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene has a molecular weight of 376.45 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene is sourced from PubChem (CID 58375489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).