4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

C26H16F2N2 — CID 176729882

IUPAC4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESFc1cc/c2c(c1)=c1cc(F)cc/c1=N/C(c1ccccc1)=C(c1ccccc1)/N=2
InChIInChI=1S/C26H16F2N2/c27-19-11-13-23-21(15-19)22-16-20(28)12-14-24(22)30-26(18-9-5-2-6-10-18)25(29-23)17-7-3-1-4-8-17/h1-16H/b22-21?,26-25?,29-23-,29-25?,30-24-,30-26?
InChIKeyICCWFQJVHWCPPT-ORCUWGBXSA-N
MW394.42 g/mol
LogP5.03
Rot. Bonds2

About 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 176729882) has the molecular formula C26H16F2N2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID176729882
Molecular FormulaC26H16F2N2
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Name4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESFc1cc/c2c(c1)=c1cc(F)cc/c1=N/C(c1ccccc1)=C(c1ccccc1)/N=2
InChIInChI=1S/C26H16F2N2/c27-19-11-13-23-21(15-19)22-16-20(28)12-14-24(22)30-26(18-9-5-2-6-10-18)25(29-23)17-7-3-1-4-8-17/h1-16H/b22-21?,26-25?,29-23-,29-25?,30-24-,30-26?
InChIKeyICCWFQJVHWCPPT-ORCUWGBXSA-N
XLogP5.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 176729882) is 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is Fc1cc/c2c(c1)=c1cc(F)cc/c1=N/C(c1ccccc1)=C(c1ccccc1)/N=2.
What is the InChIKey of 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is ICCWFQJVHWCPPT-ORCUWGBXSA-N. The full InChI is InChI=1S/C26H16F2N2/c27-19-11-13-23-21(15-19)22-16-20(28)12-14-24(22)30-26(18-9-5-2-6-10-18)25(29-23)17-7-3-1-4-8-17/h1-16H/b22-21?,26-25?,29-23-,29-25?,30-24-,30-26?.
What are the key properties of 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 394.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-difluoro-9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 176729882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).