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

C32H19N — CID 141416725

IUPAC23-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
SMILESc1ccc2c(c1)ccc1c2ccc2c1ccc1ccc3c(ccc4c5ccccc5[nH]c43)c12
InChIInChI=1S/C32H19N/c1-2-6-21-19(5-1)9-12-23-22(21)15-16-26-24(23)13-10-20-11-14-29-27(31(20)26)17-18-28-25-7-3-4-8-30(25)33-32(28)29/h1-18,33H
InChIKeyLEVRKYHMBCCEDP-UHFFFAOYSA-N
MW417.51 g/mol
LogP9.09
Rot. Bonds

About 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

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 (PubChem CID 141416725) has the molecular formula C32H19N and a molecular weight of 417.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-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
PubChem CID141416725
Molecular FormulaC32H19N
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name23-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
SMILESc1ccc2c(c1)ccc1c2ccc2c1ccc1ccc3c(ccc4c5ccccc5[nH]c43)c12
InChIInChI=1S/C32H19N/c1-2-6-21-19(5-1)9-12-23-22(21)15-16-26-24(23)13-10-20-11-14-29-27(31(20)26)17-18-28-25-7-3-4-8-30(25)33-32(28)29/h1-18,33H
InChIKeyLEVRKYHMBCCEDP-UHFFFAOYSA-N
XLogP9.09
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
9,28-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
benzo[c]phenanthrene;chrysene
CID 161372898
17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
CID 164721462
1-butyl-11H-benzo[a]carbazole
CID 70621746
11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
CID 159182554
11H-benzo[a]carbazol-1-ylboronic acid
CID 176903535
ethane;17,26,39-triazadecacyclo[19.18.0.02,18.03,16.04,9.010,15.022,38.025,37.027,36.028,33]nonatriaconta-1(21),2(18),3(16),4,6,8,10,12,14,19,22(38),23,25(37),27(36),28,30,32,34-octadecaene
CID 145347824

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)ccc1c2ccc2c1ccc1ccc3c(ccc4c5ccccc5[nH]c43)c12.
What is the InChIKey of 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?
The InChIKey is LEVRKYHMBCCEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N/c1-2-6-21-19(5-1)9-12-23-22(21)15-16-26-24(23)13-10-20-11-14-29-27(31(20)26)17-18-28-25-7-3-4-8-30(25)33-32(28)29/h1-18,33H.
What are the key properties of 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?
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 has a molecular weight of 417.51 g/mol, XLogP of 9.09, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141416725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).