1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene

C24H14N4 — CID 158757609

IUPAC1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1nc1c3ncccc3c3ccncc3n21
InChIInChI=1S/C24H14N4/c1-2-5-15-14(4-1)12-19-16(15)7-8-20-22(19)27-24-23-18(6-3-10-26-23)17-9-11-25-13-21(17)28(20)24/h1-11,13H,12H2
InChIKeySSRLLYZCNDUOIE-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.16
Rot. Bonds

About 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene

1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene (PubChem CID 158757609) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene.

Molecular Properties

Compound Name1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene
PubChem CID158757609
Molecular FormulaC24H14N4
Molecular Weight358.40 g/mol
Exact Mass358.12
IUPAC Name1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1nc1c3ncccc3c3ccncc3n21
InChIInChI=1S/C24H14N4/c1-2-5-15-14(4-1)12-19-16(15)7-8-20-22(19)27-24-23-18(6-3-10-26-23)17-9-11-25-13-21(17)28(20)24/h1-11,13H,12H2
InChIKeySSRLLYZCNDUOIE-UHFFFAOYSA-N
XLogP5.16
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene with MolForge

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Related Compounds

1,15,18,25-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene;1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene;1,15,19,25-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene;1,15,19,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene;1,15,20,25-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene;1,15,20,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene;1,15,21,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene
CID 158757606
1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene
CID 157467147
1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-2(14),3,5(13),7,9,11,15,17(22),18,20,23(28),24,26-tridecaene
CID 158954616
21,24,29,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,24,30,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,24,31,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,24,32,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,29,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene
CID 158393653
2,5,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene
CID 157141581
21,26,29,35-tetrazanonacyclo[18.15.0.02,17.03,15.04,12.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4(12),6,8,10,13,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,26,30,35-tetrazanonacyclo[18.15.0.02,17.03,15.04,12.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4(12),6,8,10,13,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,26,31,35-tetrazanonacyclo[18.15.0.02,17.03,15.04,12.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4(12),6,8,10,13,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,26,32,35-tetrazanonacyclo[18.15.0.02,17.03,15.04,12.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4(12),6,8,10,13,18,22(27),23,25,28(33),29,31,34-hexadecaene
CID 159635547
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
21,24,32,35-tetrazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.022,35.023,28.029,34]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,29(34),30,32-hexadecaene
CID 158371384
24,27,32,34-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
CID 158420191
21,23,32,35-tetrazanonacyclo[18.15.0.02,17.03,15.04,12.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4(12),6,8,10,13,18,22(27),23,25,28(33),29,31,34-hexadecaene
CID 161094085
21,26,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,26,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,26,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,26,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,22(27),23,25,28(33),29,31,34-hexadecaene
CID 159121838
21,26,29,35-tetrazanonacyclo[18.15.0.02,17.04,16.07,15.09,14.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,22(27),23,25,28(33),29,31,34-hexadecaene
CID 159598176

Frequently Asked Questions

What is the IUPAC name of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene?
The IUPAC name of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene (CID 158757609) is 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene.
What is the SMILES notation for 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene?
The canonical SMILES for 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene is c1ccc2c(c1)Cc1c-2ccc2c1nc1c3ncccc3c3ccncc3n21.
What is the InChIKey of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene?
The InChIKey is SSRLLYZCNDUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4/c1-2-5-15-14(4-1)12-19-16(15)7-8-20-22(19)27-24-23-18(6-3-10-26-23)17-9-11-25-13-21(17)28(20)24/h1-11,13H,12H2.
What are the key properties of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene?
1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene has a molecular weight of 358.40 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17(22),18,20,23(28),24,26-tridecaene is sourced from PubChem (CID 158757609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).