2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene

C162H96N24 — CID 159261880

IUPAC2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cccnc4c4cnccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cccnc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ccncc4c4cnccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ccncc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cnccc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ncccc4c4ncccc4n2c1-3
InChIInChI=1S/6C27H16N4/c1-2-6-17-15(5-1)13-16-9-10-18-20(23(16)17)14-21-26(18)31-22-8-4-12-29-25(22)24-19(27(31)30-21)7-3-11-28-24;1-2-6-17-15(5-1)13-16-9-10-18-20(23(16)17)14-21-26(18)31-22-8-4-12-28-24(22)19-7-3-11-29-25(19)27(31)30-21;1-2-5-17-15(4-1)12-16-7-8-19-20(24(16)17)13-22-26(19)31-23-6-3-10-29-25(23)18-9-11-28-14-21(18)27(31)30-22;1-2-5-17-15(4-1)12-16-7-8-18-20(24(16)17)13-22-26(18)31-23-6-3-10-29-25(23)21-14-28-11-9-19(21)27(31)30-22;1-2-5-17-15(4-1)12-16-7-8-18-20(24(16)17)13-22-26(18)31-23-9-11-28-14-21(23)25-19(27(31)30-22)6-3-10-29-25;1-2-4-17-15(3-1)11-16-5-6-18-20(25(16)17)12-23-26(18)31-24-8-10-29-14-22(24)21-13-28-9-7-19(21)27(31)30-23/h2*1-12H,13-14H2;3*1-11,14H,12-13H2;1-10,13-14H,11-12H2
InChIKeyKWPPQZQQCVSNJJ-UHFFFAOYSA-N
MW2378.72 g/mol
LogP33.44
Rot. Bonds

About 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene

2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene (PubChem CID 159261880) has the molecular formula C162H96N24 and a molecular weight of 2378.72 g/mol. Its IUPAC name is 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene.

Molecular Properties

Compound Name2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene
PubChem CID159261880
Molecular FormulaC162H96N24
Molecular Weight2378.72 g/mol
Exact Mass2376.82
IUPAC Name2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cccnc4c4cnccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cccnc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ccncc4c4cnccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ccncc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cnccc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ncccc4c4ncccc4n2c1-3
InChIInChI=1S/6C27H16N4/c1-2-6-17-15(5-1)13-16-9-10-18-20(23(16)17)14-21-26(18)31-22-8-4-12-29-25(22)24-19(27(31)30-21)7-3-11-28-24;1-2-6-17-15(5-1)13-16-9-10-18-20(23(16)17)14-21-26(18)31-22-8-4-12-28-24(22)19-7-3-11-29-25(19)27(31)30-21;1-2-5-17-15(4-1)12-16-7-8-19-20(24(16)17)13-22-26(19)31-23-6-3-10-29-25(23)18-9-11-28-14-21(18)27(31)30-22;1-2-5-17-15(4-1)12-16-7-8-18-20(24(16)17)13-22-26(18)31-23-6-3-10-29-25(23)21-14-28-11-9-19(21)27(31)30-22;1-2-5-17-15(4-1)12-16-7-8-18-20(24(16)17)13-22-26(18)31-23-9-11-28-14-21(23)25-19(27(31)30-22)6-3-10-29-25;1-2-4-17-15(3-1)11-16-5-6-18-20(25(16)17)12-23-26(18)31-24-8-10-29-14-22(24)21-13-28-9-7-19(21)27(31)30-23/h2*1-12H,13-14H2;3*1-11,14H,12-13H2;1-10,13-14H,11-12H2
InChIKeyKWPPQZQQCVSNJJ-UHFFFAOYSA-N
XLogP33.44
TPSA258.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.72
LogP ≤ 533.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene?
The IUPAC name of 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene (CID 159261880) is 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene.
What is the SMILES notation for 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene?
The canonical SMILES for 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cccnc4c4cnccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cccnc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ccncc4c4cnccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ccncc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4cnccc4c4ncccc4n2c1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nc2c4ncccc4c4ncccc4n2c1-3.
What is the InChIKey of 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene?
The InChIKey is KWPPQZQQCVSNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C27H16N4/c1-2-6-17-15(5-1)13-16-9-10-18-20(23(16)17)14-21-26(18)31-22-8-4-12-29-25(22)24-19(27(31)30-21)7-3-11-28-24;1-2-6-17-15(5-1)13-16-9-10-18-20(23(16)17)14-21-26(18)31-22-8-4-12-28-24(22)19-7-3-11-29-25(19)27(31)30-21;1-2-5-17-15(4-1)12-16-7-8-19-20(24(16)17)13-22-26(19)31-23-6-3-10-29-25(23)18-9-11-28-14-21(18)27(31)30-22;1-2-5-17-15(4-1)12-16-7-8-18-20(24(16)17)13-22-26(18)31-23-6-3-10-29-25(23)21-14-28-11-9-19(21)27(31)30-22;1-2-5-17-15(4-1)12-16-7-8-18-20(24(16)17)13-22-26(18)31-23-9-11-28-14-21(23)25-19(27(31)30-22)6-3-10-29-25;1-2-4-17-15(3-1)11-16-5-6-18-20(25(16)17)12-23-26(18)31-24-8-10-29-14-22(24)21-13-28-9-7-19(21)27(31)30-23/h2*1-12H,13-14H2;3*1-11,14H,12-13H2;1-10,13-14H,11-12H2.
What are the key properties of 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene?
2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene has a molecular weight of 2378.72 g/mol, XLogP of 33.44, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,6,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,10,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,11,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,12,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene;2,7,13,16-tetrazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3(8),4,6,9(14),10,12,15,19(31),20(28),21,23,25,29-tetradecaene is sourced from PubChem (CID 159261880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).