2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene

C33H24N2+2 — CID 158508309

IUPAC2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1ccc[n+]3c1C2c1cccc2c1C31c3c(cccc3Cc3cccc[n+]31)C2
InChIInChI=1S/C33H24N2/c1-2-14-27-21(8-1)18-25-12-7-17-35-32(25)29(27)28-15-6-11-23-19-22-9-5-10-24-20-26-13-3-4-16-34(26)33(35,30(22)24)31(23)28/h1-17,29H,18-20H2/q+2
InChIKeyVLMJKKBLLGDJGQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.77
Rot. Bonds

About 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene

2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene (PubChem CID 158508309) has the molecular formula C33H24N2+2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene.

Molecular Properties

Compound Name2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene
PubChem CID158508309
Molecular FormulaC33H24N2+2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1ccc[n+]3c1C2c1cccc2c1C31c3c(cccc3Cc3cccc[n+]31)C2
InChIInChI=1S/C33H24N2/c1-2-14-27-21(8-1)18-25-12-7-17-35-32(25)29(27)28-15-6-11-23-19-22-9-5-10-24-20-26-13-3-4-16-34(26)33(35,30(22)24)31(23)28/h1-17,29H,18-20H2/q+2
InChIKeyVLMJKKBLLGDJGQ-UHFFFAOYSA-N
XLogP4.77
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene 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

6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine
CID 123858590
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
42,43-diazoniadodecacyclo[23.16.1.11,26.02,15.03,12.04,40.05,10.017,42.019,24.028,33.036,41.034,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,23,25(42),26,28,30,32,34(43),36(41),37,39-nonadecaene
CID 159688659
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
CID 158399888
CID 158399888
2-aza-28,29-diazoniaoctacyclo[13.13.1.11,17.12,5.011,29.023,28.09,31.021,30]hentriaconta-3,5(31),6,8,11,13,15(29),17,19,21(30),23,25,27-tridecaene
CID 160639332
6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
CID 158761818
2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 159907565
ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene
CID 163571818
9-iodo-9,10-dihydroanthracene
CID 70258846
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
(2S,4R)-3,3-difluorotetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 59040472

Frequently Asked Questions

What is the IUPAC name of 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene?
The IUPAC name of 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene (CID 158508309) is 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene.
What is the SMILES notation for 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene?
The canonical SMILES for 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene is c1ccc2c(c1)Cc1ccc[n+]3c1C2c1cccc2c1C31c3c(cccc3Cc3cccc[n+]31)C2.
What is the InChIKey of 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene?
The InChIKey is VLMJKKBLLGDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-2-14-27-21(8-1)18-25-12-7-17-35-32(25)29(27)28-15-6-11-23-19-22-9-5-10-24-20-26-13-3-4-16-34(26)33(35,30(22)24)31(23)28/h1-17,29H,18-20H2/q+2.
What are the key properties of 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene?
2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene has a molecular weight of 448.57 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene is sourced from PubChem (CID 158508309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).