13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene

C22H17N — CID 10125506

IUPAC13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
SMILESc1ccc2cc3c(cc2c1)CNCc1cc2ccccc2cc1-3
InChIInChI=1S/C22H17N/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-14-20-10-16-6-2-4-8-18(16)12-22(20)21/h1-12,23H,13-14H2
InChIKeyHSMCDINLOFKUBX-UHFFFAOYSA-N
MW295.38 g/mol
LogP5.26
Rot. Bonds

About 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene

13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene (PubChem CID 10125506) has the molecular formula C22H17N and a molecular weight of 295.38 g/mol. Its IUPAC name is 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene.

Molecular Properties

Compound Name13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
PubChem CID10125506
Molecular FormulaC22H17N
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
SMILESc1ccc2cc3c(cc2c1)CNCc1cc2ccccc2cc1-3
InChIInChI=1S/C22H17N/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-14-20-10-16-6-2-4-8-18(16)12-22(20)21/h1-12,23H,13-14H2
InChIKeyHSMCDINLOFKUBX-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene
CID 23659227
benzene;2,3-dihydro-1H-isoindole
CID 161490745
azane;2,3-dihydro-1H-isoindole
CID 23342931
2,3-dihydro-1H-isoindole;molecular hydrogen
CID 144672550
4-phenyl-2,3-dihydro-1H-benzo[f]isoindole
CID 132580543
5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline
CID 53472046
3,7,19,23-tetrazapentacyclo[23.7.1.19,17.010,16.026,32]tetratriaconta-1(33),9(34),10,12,14,16,25,27,29,31-decaene
CID 15472515
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
1,4-dihydroanthracene
CID 10142816
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851

Frequently Asked Questions

What is the IUPAC name of 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene?
The IUPAC name of 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene (CID 10125506) is 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene.
What is the SMILES notation for 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene?
The canonical SMILES for 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene is c1ccc2cc3c(cc2c1)CNCc1cc2ccccc2cc1-3.
What is the InChIKey of 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene?
The InChIKey is HSMCDINLOFKUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-14-20-10-16-6-2-4-8-18(16)12-22(20)21/h1-12,23H,13-14H2.
What are the key properties of 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene?
13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene has a molecular weight of 295.38 g/mol, XLogP of 5.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 10125506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).