12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene

C35H24N3+ — CID 158512297

IUPAC12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene
SMILESc1cc2c3c(c1)-n1c4ccccc4c4ccc5c(c41)C3(C1CCCC21)[n+]1cccc2c3ccccc3n-5c21
InChIInChI=1S/C35H24N3/c1-3-14-27-21(8-1)24-17-18-30-32-33(24)37(27)29-16-6-11-23-20-10-5-13-26(20)35(32,31(23)29)36-19-7-12-25-22-9-2-4-15-28(22)38(30)34(25)36/h1-4,6-9,11-12,14-20,26H,5,10,13H2/q+1
InChIKeyFLNWFPIQWYHTII-UHFFFAOYSA-N
MW486.60 g/mol
LogP7.48
Rot. Bonds

About 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene

12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene (PubChem CID 158512297) has the molecular formula C35H24N3+ and a molecular weight of 486.60 g/mol. Its IUPAC name is 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene.

Molecular Properties

Compound Name12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene
PubChem CID158512297
Molecular FormulaC35H24N3+
Molecular Weight486.60 g/mol
Exact Mass486.20
IUPAC Name12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene
SMILESc1cc2c3c(c1)-n1c4ccccc4c4ccc5c(c41)C3(C1CCCC21)[n+]1cccc2c3ccccc3n-5c21
InChIInChI=1S/C35H24N3/c1-3-14-27-21(8-1)24-17-18-30-32-33(24)37(27)29-16-6-11-23-20-10-5-13-26(20)35(32,31(23)29)36-19-7-12-25-22-9-2-4-15-28(22)38(30)34(25)36/h1-4,6-9,11-12,14-20,26H,5,10,13H2/q+1
InChIKeyFLNWFPIQWYHTII-UHFFFAOYSA-N
XLogP7.48
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene with MolForge

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Related Compounds

CID 158512296
CID 158512296
13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene
CID 158278408
8-phenyl-12,23-diaza-34,35-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7,9,11(38),13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene
CID 158247601
19-phenyl-13,19,25-triaza-2-azoniaundecacyclo[18.16.1.11,14.12,6.125,32.07,12.024,37.026,31.013,40.018,39.036,38]tetraconta-2,4,6(40),7,9,11,14(39),15,17,20,22,24(37),26,28,30,32(38),33,35-octadecaene
CID 159776857
8,26,37-triaza-2-azoniatridecacyclo[28.13.2.115,19.01,17.02,7.08,16.09,14.018,26.020,25.027,44.031,36.037,45.038,43]hexatetraconta-2,4,6,9,11,13,15,17,19(46),20,22,24,27(44),28,30(45),31,33,35,38,40,42-henicosaene
CID 159776856
32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene
CID 158998415
32-[4-[(E)-2-phenylethenyl]phenyl]-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene
CID 159103230
5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,18-diaza-5,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene
CID 158433506
CID 158260810
CID 158260810
32-dibenzothiophen-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene
CID 160812804
4-(4-phenylphenyl)-3,12-dioxa-5,6,18-triaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene
CID 158889082
5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;bis(5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene);5-methyl-4-(4-phenylphenyl)-3,12,18-trioxa-6-aza-24-azoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-4,7(26),8,10,13(25),14,16,19,21,23-decaene;4-(4-phenylphenyl)-3,12-dioxa-5,6,18-triaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;bis(4-(4-phenylphenyl)-3,12-dioxa-5,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene);4-(4-phenylphenyl)-3,12,18-trioxa-5,6-diaza-24-azoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-4,7(26),8,10,13(25),14,16,19,21,23-decaene
CID 158889081

Frequently Asked Questions

What is the IUPAC name of 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene?
The IUPAC name of 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene (CID 158512297) is 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene.
What is the SMILES notation for 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene?
The canonical SMILES for 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene is c1cc2c3c(c1)-n1c4ccccc4c4ccc5c(c41)C3(C1CCCC21)[n+]1cccc2c3ccccc3n-5c21.
What is the InChIKey of 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene?
The InChIKey is FLNWFPIQWYHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N3/c1-3-14-27-21(8-1)24-17-18-30-32-33(24)37(27)29-16-6-11-23-20-10-5-13-26(20)35(32,31(23)29)36-19-7-12-25-22-9-2-4-15-28(22)38(30)34(25)36/h1-4,6-9,11-12,14-20,26H,5,10,13H2/q+1.
What are the key properties of 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene?
12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene has a molecular weight of 486.60 g/mol, XLogP of 7.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene is sourced from PubChem (CID 158512297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).