9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene

C23H15N3 — CID 177119953

IUPAC9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESCc1c2ccccc2n2c3cc4ccccc4cc3c3ncncc3c12
InChIInChI=1S/C23H15N3/c1-14-17-8-4-5-9-20(17)26-21-11-16-7-3-2-6-15(16)10-18(21)22-19(23(14)26)12-24-13-25-22/h2-13H,1H3
InChIKeyFZKCYNCZJIRQAZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.65
Rot. Bonds

About 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene

9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 177119953) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID177119953
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESCc1c2ccccc2n2c3cc4ccccc4cc3c3ncncc3c12
InChIInChI=1S/C23H15N3/c1-14-17-8-4-5-9-20(17)26-21-11-16-7-3-2-6-15(16)10-18(21)22-19(23(14)26)12-24-13-25-22/h2-13H,1H3
InChIKeyFZKCYNCZJIRQAZ-UHFFFAOYSA-N
XLogP5.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

3,30-dimethyl-10,13,15,23-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11,13,15,17,19,21,24,26,28-tetradecaene
CID 138474724
2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
CID 171595191
14-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-9-methyl-2,15-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene
CID 177119945
10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121298182
12,29-diazaoctacyclo[17.10.2.02,11.04,9.012,31.013,18.022,30.023,28]hentriaconta-1(29),2,4,6,8,10,13,15,17,19(31),20,22(30),23,25,27-pentadecaene
CID 170235573
1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.022,27.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20,22,24,26,28(39),29,31,33,35,37-nonadecaene
CID 162480295
10-(2,2-dimethylpropyl)-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
CID 170234187
9-(2,2-dimethylpropyl)-20-fluoro-1,12,14-triazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
CID 176812263
15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.07,12.020,25.026,30]triaconta-1(29),2,4(16),5,7,9,11,13,17,20,22,24,26(30),27-tetradecaene
CID 166921790
2,12-diazaheptacyclo[15.12.0.02,10.03,8.011,16.019,28.021,26]nonacosa-1(29),3,5,7,9,11(16),12,14,17,19,21,23,25,27-tetradecaene
CID 140949348
12-methylindolo[1,2-c]quinazolin-6-amine
CID 162409606
12,31-diazaundecacyclo[18.17.1.12,12.13,7.013,18.021,30.023,28.031,38.032,37.011,40.019,39]tetraconta-1(38),2(39),3,5,7(40),8,10,13,15,17,19,21,23,25,27,29,32,34,36-nonadecaene
CID 177115297

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 177119953) is 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene is Cc1c2ccccc2n2c3cc4ccccc4cc3c3ncncc3c12.
What is the InChIKey of 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is FZKCYNCZJIRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c1-14-17-8-4-5-9-20(17)26-21-11-16-7-3-2-6-15(16)10-18(21)22-19(23(14)26)12-24-13-25-22/h2-13H,1H3.
What are the key properties of 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene?
9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 333.39 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 177119953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).