11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C32H20N2 — CID 122524523

IUPAC11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccccn3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C32H20N2/c1-3-11-22(12-4-1)28-29-24-17-9-15-21-16-10-18-25(27(21)24)30(29)31(23-13-5-2-6-14-23)34-32(28)26-19-7-8-20-33-26/h1-20H
InChIKeyRCSUTAFMAYWCED-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.28
Rot. Bonds3

About 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122524523) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122524523
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccccn3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C32H20N2/c1-3-11-22(12-4-1)28-29-24-17-9-15-21-16-10-18-25(27(21)24)30(29)31(23-13-5-2-6-14-23)34-32(28)26-19-7-8-20-33-26/h1-20H
InChIKeyRCSUTAFMAYWCED-UHFFFAOYSA-N
XLogP8.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122524523) is 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3ccccn3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is RCSUTAFMAYWCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-3-11-22(12-4-1)28-29-24-17-9-15-21-16-10-18-25(27(21)24)30(29)31(23-13-5-2-6-14-23)34-32(28)26-19-7-8-20-33-26/h1-20H.
What are the key properties of 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 432.53 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122524523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).