1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene

C33H22N2 — CID 167599927

IUPAC1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)Cc1nccc2c1N3c1ccccc1C2
InChIInChI=1S/C33H22N2/c1-3-7-23-19(5-1)16-28-24(23)10-9-21-17-26-25(32(21)28)11-12-31-27(26)18-29-33-22(13-14-34-29)15-20-6-2-4-8-30(20)35(31)33/h1-14H,15-18H2
InChIKeyQOYLIGSUJVJLBE-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.50
Rot. Bonds

About 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene

1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene (PubChem CID 167599927) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene.

Molecular Properties

Compound Name1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene
PubChem CID167599927
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)Cc1nccc2c1N3c1ccccc1C2
InChIInChI=1S/C33H22N2/c1-3-7-23-19(5-1)16-28-24(23)10-9-21-17-26-25(32(21)28)11-12-31-27(26)18-29-33-22(13-14-34-29)15-20-6-2-4-8-30(20)35(31)33/h1-14H,15-18H2
InChIKeyQOYLIGSUJVJLBE-UHFFFAOYSA-N
XLogP7.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene with MolForge

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Related Compounds

1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
CID 167651631
1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23,25,27(35),29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene
CID 167574631
1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23,25,27(35),29,31,33-pentadecaene;1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23,25,27(35),29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23(35),24,26,29,31,33-pentadecaene
CID 167593307
1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene
CID 167533761
1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.09,17.011,16.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9(17),11,13,15,20,23,25,27(35),29,31,33-pentadecaene
CID 167574037
1,26,30-triazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29(34),30,32-pentadecaene
CID 167645809
1,23-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22(27),23,25-dodecaene
CID 167583196
1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene
CID 167630710
1,26,33-triazanonacyclo[21.11.1.02,21.05,20.07,19.010,18.012,17.027,35.029,34]pentatriaconta-2(21),3,5(20),7(19),8,10(18),12,14,16,23(35),24,26,29(34),30,32-pentadecaene
CID 167586723
1,31-diazanonacyclo[21.11.1.02,21.05,20.07,19.08,16.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),7(19),8(16),9,11,13,17,23,25,27(35),29(34),30,32-pentadecaene
CID 167644188
1,17-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22(27),23,25-dodecaene;9,13-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3,5,7,10(15),11,13,17(28),18(26),20,22,24-dodecaene;9,14-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3,5,7,10(15),11,13,17(28),18(26),20,22,24-dodecaene
CID 167580218
25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene
CID 167541952

Frequently Asked Questions

What is the IUPAC name of 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene?
The IUPAC name of 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene (CID 167599927) is 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene.
What is the SMILES notation for 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene?
The canonical SMILES for 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene is c1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)Cc1nccc2c1N3c1ccccc1C2.
What is the InChIKey of 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene?
The InChIKey is QOYLIGSUJVJLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-7-23-19(5-1)16-28-24(23)10-9-21-17-26-25(32(21)28)11-12-31-27(26)18-29-33-22(13-14-34-29)15-20-6-2-4-8-30(20)35(31)33/h1-14H,15-18H2.
What are the key properties of 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene?
1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene has a molecular weight of 446.55 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,24-diazanonacyclo[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene is sourced from PubChem (CID 167599927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).