16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene

C24H15N — CID 86153881

IUPAC16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
SMILESc1ccc2c(c1)ccc1c2ccc2c1ccc1c3ccccc3[nH]c12
InChIInChI=1S/C24H15N/c1-2-6-16-15(5-1)9-10-18-17(16)11-13-21-19(18)12-14-22-20-7-3-4-8-23(20)25-24(21)22/h1-14,25H
InChIKeyJRCSZHJYQOAPHX-UHFFFAOYSA-N
MW317.39 g/mol
LogP6.78
Rot. Bonds

About 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene

16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene (PubChem CID 86153881) has the molecular formula C24H15N and a molecular weight of 317.39 g/mol. Its IUPAC name is 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene.

Molecular Properties

Compound Name16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
PubChem CID86153881
Molecular FormulaC24H15N
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
SMILESc1ccc2c(c1)ccc1c2ccc2c1ccc1c3ccccc3[nH]c12
InChIInChI=1S/C24H15N/c1-2-6-16-15(5-1)9-10-18-17(16)11-13-21-19(18)12-14-22-20-7-3-4-8-23(20)25-24(21)22/h1-14,25H
InChIKeyJRCSZHJYQOAPHX-UHFFFAOYSA-N
XLogP6.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene with MolForge

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Related Compounds

23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;1H-indole
CID 161231116
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427285
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 149000939
11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
CID 159182554
chrysene;iron
CID 157379031
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437
22,33-diazaoctacyclo[16.15.0.02,15.05,14.07,12.020,32.021,29.023,28]tritriaconta-1(33),2(15),3,5,7,9,11,13,16,18,20(32),21(29),23,25,27,30-hexadecaene
CID 154174820
11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
CID 134343889
10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90238864

Frequently Asked Questions

What is the IUPAC name of 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene?
The IUPAC name of 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene (CID 86153881) is 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene.
What is the SMILES notation for 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene?
The canonical SMILES for 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene is c1ccc2c(c1)ccc1c2ccc2c1ccc1c3ccccc3[nH]c12.
What is the InChIKey of 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene?
The InChIKey is JRCSZHJYQOAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N/c1-2-6-16-15(5-1)9-10-18-17(16)11-13-21-19(18)12-14-22-20-7-3-4-8-23(20)25-24(21)22/h1-14,25H.
What are the key properties of 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene?
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene has a molecular weight of 317.39 g/mol, XLogP of 6.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene is sourced from PubChem (CID 86153881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).