1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene

C22H15N — CID 129142292

IUPAC1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene
SMILESc1ccc2c(c1)Cn1c3c(c4cccc-2c41)Cc1ccccc1-3
InChIInChI=1S/C22H15N/c1-4-9-17-14(6-1)12-20-19-11-5-10-18-16-8-3-2-7-15(16)13-23(21(17)20)22(18)19/h1-11H,12-13H2
InChIKeyNOYRGLDZWUUJBS-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.24
Rot. Bonds

About 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene

1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene (PubChem CID 129142292) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene.

Molecular Properties

Compound Name1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene
PubChem CID129142292
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene
SMILESc1ccc2c(c1)Cn1c3c(c4cccc-2c41)Cc1ccccc1-3
InChIInChI=1S/C22H15N/c1-4-9-17-14(6-1)12-20-19-11-5-10-18-16-8-3-2-7-15(16)13-23(21(17)20)22(18)19/h1-11H,12-13H2
InChIKeyNOYRGLDZWUUJBS-UHFFFAOYSA-N
XLogP5.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene?
The IUPAC name of 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene (CID 129142292) is 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene.
What is the SMILES notation for 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene?
The canonical SMILES for 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene is c1ccc2c(c1)Cn1c3c(c4cccc-2c41)Cc1ccccc1-3.
What is the InChIKey of 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene?
The InChIKey is NOYRGLDZWUUJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-4-9-17-14(6-1)12-20-19-11-5-10-18-16-8-3-2-7-15(16)13-23(21(17)20)22(18)19/h1-11H,12-13H2.
What are the key properties of 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene?
1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene has a molecular weight of 293.37 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene is sourced from PubChem (CID 129142292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).