24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene

C32H19N3 — CID 157471106

IUPAC24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c4ccncc4n4c5ccccc5nc4c2c1-3
InChIInChI=1S/C32H19N3/c1-2-6-22-18(5-1)13-20-16-26-21(15-25(20)22)14-19-9-10-24-23-11-12-33-17-29(23)35-28-8-4-3-7-27(28)34-32(35)31(24)30(19)26/h1-12,15-17H,13-14H2
InChIKeyVTJXBROBENJYAP-UHFFFAOYSA-N
MW445.53 g/mol
LogP7.33
Rot. Bonds

About 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene

24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene (PubChem CID 157471106) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene.

Molecular Properties

Compound Name24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
PubChem CID157471106
Molecular FormulaC32H19N3
Molecular Weight445.53 g/mol
Exact Mass445.16
IUPAC Name24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c4ccncc4n4c5ccccc5nc4c2c1-3
InChIInChI=1S/C32H19N3/c1-2-6-22-18(5-1)13-20-16-26-21(15-25(20)22)14-19-9-10-24-23-11-12-33-17-29(23)35-28-8-4-3-7-27(28)34-32(35)31(24)30(19)26/h1-12,15-17H,13-14H2
InChIKeyVTJXBROBENJYAP-UHFFFAOYSA-N
XLogP7.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene with MolForge

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Related Compounds

23,27,31,34-tetrazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene
CID 159595543
22,26,29,32-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23(28),24,26,30(35),31,33-hexadecaene;22,26,29,32-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,30(35),31,33-hexadecaene;22,26,29,32-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23(28),24,26,30(35),31,33-hexadecaene;22,26,29,32-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23(28),24,26,30(35),31,33-hexadecaene;22,26,29,32-tetrazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene;22,26,29,32-tetrazanonacyclo[18.15.0.02,17.04,16.07,15.09,14.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;24,27,30,34-tetrazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene
CID 158370643
22,26,29,32-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 157049715
21,24,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(27),23,25,28(33),29,31,34-hexadecaene
CID 159552683
22,25,29,34-tetrazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 158205601
17-phenyl-17,24,27,34-tetrazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32,34-hexadecaene
CID 159128657
22,27,30,34-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;22,27,30,34-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene
CID 160725206
3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4(9),5,7,11(16),12,14,18(26),19,21,23,27-tridecaene
CID 159847888
2,9-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene
CID 159976359
3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
22,26,29,32-tetrazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 157049714
4,7,11-triazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,19,21(29),22,24,26,30-tetradecaene
CID 158724438

Frequently Asked Questions

What is the IUPAC name of 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene?
The IUPAC name of 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene (CID 157471106) is 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene.
What is the SMILES notation for 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene?
The canonical SMILES for 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c4ccncc4n4c5ccccc5nc4c2c1-3.
What is the InChIKey of 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene?
The InChIKey is VTJXBROBENJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c1-2-6-22-18(5-1)13-20-16-26-21(15-25(20)22)14-19-9-10-24-23-11-12-33-17-29(23)35-28-8-4-3-7-27(28)34-32(35)31(24)30(19)26/h1-12,15-17H,13-14H2.
What are the key properties of 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene?
24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene has a molecular weight of 445.53 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24,27,34-triazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene is sourced from PubChem (CID 157471106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).