8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene

C26H20N2 — CID 145004136

IUPAC8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene
SMILESC1=Cc2c([nH]c3c2-c2ccccc2N(c2ccccc2)c2ccccc2-3)CC1
InChIInChI=1S/C26H20N2/c1-2-10-18(11-3-1)28-23-16-8-5-13-20(23)25-19-12-4-7-15-22(19)27-26(25)21-14-6-9-17-24(21)28/h1-6,8-14,16-17,27H,7,15H2
InChIKeyJKNSXRGJAVOFSF-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.09
Rot. Bonds1

About 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene

8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene (PubChem CID 145004136) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene.

Molecular Properties

Compound Name8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene
PubChem CID145004136
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene
SMILESC1=Cc2c([nH]c3c2-c2ccccc2N(c2ccccc2)c2ccccc2-3)CC1
InChIInChI=1S/C26H20N2/c1-2-10-18(11-3-1)28-23-16-8-5-13-20(23)25-19-12-4-7-15-22(19)27-26(25)21-14-6-9-17-24(21)28/h1-6,8-14,16-17,27H,7,15H2
InChIKeyJKNSXRGJAVOFSF-UHFFFAOYSA-N
XLogP7.09
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene with MolForge

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Related Compounds

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CID 145218035
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14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene?
The IUPAC name of 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene (CID 145004136) is 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene.
What is the SMILES notation for 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene?
The canonical SMILES for 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene is C1=Cc2c([nH]c3c2-c2ccccc2N(c2ccccc2)c2ccccc2-3)CC1.
What is the InChIKey of 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene?
The InChIKey is JKNSXRGJAVOFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-2-10-18(11-3-1)28-23-16-8-5-13-20(23)25-19-12-4-7-15-22(19)27-26(25)21-14-6-9-17-24(21)28/h1-6,8-14,16-17,27H,7,15H2.
What are the key properties of 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene?
8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene has a molecular weight of 360.46 g/mol, XLogP of 7.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene is sourced from PubChem (CID 145004136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).