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

C32H21N3 — CID 167586723

IUPAC1,26,33-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
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)-c1c(ccc2c1Cc1ccnc4c1N2c1ncccc1C4)C3
InChIInChI=1S/C32H21N3/c1-2-6-24-18(4-1)14-19-7-8-21-15-20-9-10-27-25(29(20)30(21)28(19)24)16-22-11-13-33-26-17-23-5-3-12-34-32(23)35(27)31(22)26/h1-13H,14-17H2
InChIKeyWJYIMZQYZOKNKV-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.90
Rot. Bonds

About 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

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 (PubChem CID 167586723) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,26,33-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
PubChem CID167586723
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name1,26,33-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
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)-c1c(ccc2c1Cc1ccnc4c1N2c1ncccc1C4)C3
InChIInChI=1S/C32H21N3/c1-2-6-24-18(4-1)14-19-7-8-21-15-20-9-10-27-25(29(20)30(21)28(19)24)16-22-11-13-33-26-17-23-5-3-12-34-32(23)35(27)31(22)26/h1-13H,14-17H2
InChIKeyWJYIMZQYZOKNKV-UHFFFAOYSA-N
XLogP6.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

1,33-diazanonacyclo[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),12,14,16,23,25,27(35),29(34),30,32-pentadecaene
CID 167550285
1,26-diazaheptacyclo[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 167534650
1,33-diazanonacyclo[21.11.1.02,21.05,20.07,19.09,17.010,15.027,35.029,34]pentatriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23,25,27(35),29(34),30,32-pentadecaene
CID 167649444
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
1,17-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[21.11.1.02,21.05,20.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),6(18),7(15),9,11,13,16,23,25,27(35),29,31,33-pentadecaene
CID 167599927
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
1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene
CID 167551433
1,17-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene
CID 167600458
1,31-diazanonacyclo[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),12,14,16,23,25,27(35),29(34),30,32-pentadecaene
CID 167550287
22,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167557650
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1ccc3c(c1-2)-c1c(ccc2c1Cc1ccnc4c1N2c1ncccc1C4)C3.
What is the InChIKey of 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?
The InChIKey is WJYIMZQYZOKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-6-24-18(4-1)14-19-7-8-21-15-20-9-10-27-25(29(20)30(21)28(19)24)16-22-11-13-33-26-17-23-5-3-12-34-32(23)35(27)31(22)26/h1-13H,14-17H2.
What are the key properties of 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?
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 has a molecular weight of 447.54 g/mol, XLogP of 6.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167586723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).