17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene

C33H22N2 — CID 167570988

IUPAC17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1c2c(cc4c1N3c1cnccc1C4)Cc1ccccc1-2
InChIInChI=1S/C33H22N2/c1-3-7-26-19(5-1)11-22-17-30-23(15-28(22)26)16-29-32-24(12-20-6-2-4-8-27(20)32)14-25-13-21-9-10-34-18-31(21)35(30)33(25)29/h1-10,14-15,17-18H,11-13,16H2
InChIKeyVGVKSPLUYBWULP-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.50
Rot. Bonds

About 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene

17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene (PubChem CID 167570988) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene.

Molecular Properties

Compound Name17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene
PubChem CID167570988
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1c2c(cc4c1N3c1cnccc1C4)Cc1ccccc1-2
InChIInChI=1S/C33H22N2/c1-3-7-26-19(5-1)11-22-17-30-23(15-28(22)26)16-29-32-24(12-20-6-2-4-8-27(20)32)14-25-13-21-9-10-34-18-31(21)35(30)33(25)29/h1-10,14-15,17-18H,11-13,16H2
InChIKeyVGVKSPLUYBWULP-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 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene with MolForge

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Related Compounds

17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene
CID 167548396
1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene
CID 167575215
17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene
CID 167536988
22,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;22,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(15),4,7,9,11,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(15),4,7,9,11,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167623444
27,31-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167612760
22,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167633122
4,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;5,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;6,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;7,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;9,11-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;9,13-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10(15),11,13,17,19,21,23,26-dodecaene;9,14-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10(15),11,13,17,19,21,23,26-dodecaene
CID 167557266
5,9,11-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;5,9,12-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;6,9,12-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;6,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;6,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene
CID 167554421
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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene
CID 167705076
1,25-diazaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene
CID 167585226
1,30-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(34),30,32-pentadecaene;1,30-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(34),30,32-pentadecaene;1,31-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(34),30,32-pentadecaene;1,32-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(34),30,32-pentadecaene;1,33-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(34),30,32-pentadecaene;1,33-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(34),30,32-pentadecaene
CID 167555788
1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.026,31]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),26,28,30-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.026,31]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),26,28,30-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.026,31]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),26,28,30-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.022,30.024,29]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22(30),24,26,28,31-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.022,30.024,29]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22(30),24,26,28,31-pentadecaene
CID 167646879

Frequently Asked Questions

What is the IUPAC name of 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene?
The IUPAC name of 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene (CID 167570988) is 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene.
What is the SMILES notation for 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene?
The canonical SMILES for 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1c2c(cc4c1N3c1cnccc1C4)Cc1ccccc1-2.
What is the InChIKey of 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene?
The InChIKey is VGVKSPLUYBWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-7-26-19(5-1)11-22-17-30-23(15-28(22)26)16-29-32-24(12-20-6-2-4-8-27(20)32)14-25-13-21-9-10-34-18-31(21)35(30)33(25)29/h1-10,14-15,17-18H,11-13,16H2.
What are the key properties of 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene?
17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-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 17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene is sourced from PubChem (CID 167570988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).