22,26,29,34-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

C31H18N4 — CID 157220376

IUPAC22,26,29,34-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
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)c1ncccc1n1c2cnccc2nc31
InChIInChI=1S/C31H18N4/c1-2-5-19-17(4-1)14-23-20(19)8-7-18-15-24-21(28(18)23)9-10-22-29(24)30-26(6-3-12-33-30)35-27-16-32-13-11-25(27)34-31(22)35/h1-13,16H,14-15H2
InChIKeyNLCWICDNWWKEDS-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.73
Rot. Bonds

About 22,26,29,34-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

22,26,29,34-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 (PubChem CID 157220376) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 22,26,29,34-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.

Molecular Properties

Compound Name22,26,29,34-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
PubChem CID157220376
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name22,26,29,34-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
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)c1ncccc1n1c2cnccc2nc31
InChIInChI=1S/C31H18N4/c1-2-5-19-17(4-1)14-23-20(19)8-7-18-15-24-21(28(18)23)9-10-22-29(24)30-26(6-3-12-33-30)35-27-16-32-13-11-25(27)34-31(22)35/h1-13,16H,14-15H2
InChIKeyNLCWICDNWWKEDS-UHFFFAOYSA-N
XLogP6.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 22,26,29,34-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 with MolForge

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Related Compounds

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[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene
CID 159713710
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
25,27,30,34-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;25,27,30,34-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;25,27,30,34-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;25,27,30,34-tetrazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene
CID 158615620
22,27,29,34-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;22,27,29,34-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;22,27,29,34-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;22,27,29,34-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;22,27,29,34-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;22,27,29,34-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
CID 158211209
22,27,29,34-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
CID 158211210
22,27,34-triazanonacyclo[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),22,24,28,30,32,34-hexadecaene
CID 157198023
22,27,31,34-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 157424603
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
3-phenyl-3,22,25,29,34-pentazanonacyclo[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
CID 159357658
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[18.15.0.03,18.04,16.07,15.08,13.021,29.023,28.030,35]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

Frequently Asked Questions

What is the IUPAC name of 22,26,29,34-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?
The IUPAC name of 22,26,29,34-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 (CID 157220376) is 22,26,29,34-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.
What is the SMILES notation for 22,26,29,34-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?
The canonical SMILES for 22,26,29,34-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 is c1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)c1ncccc1n1c2cnccc2nc31.
What is the InChIKey of 22,26,29,34-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?
The InChIKey is NLCWICDNWWKEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c1-2-5-19-17(4-1)14-23-20(19)8-7-18-15-24-21(28(18)23)9-10-22-29(24)30-26(6-3-12-33-30)35-27-16-32-13-11-25(27)34-31(22)35/h1-13,16H,14-15H2.
What are the key properties of 22,26,29,34-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?
22,26,29,34-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 has a molecular weight of 446.51 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22,26,29,34-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 is sourced from PubChem (CID 157220376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).