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 — IUPAC name, SMILES, InChIKey & properties

Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 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

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 (PubChem CID 167557650) has the molecular formula C132H88N8 and a molecular weight of 1786.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	167557650
Molecular Formula	C132H88N8
Molecular Weight	1786.21 g/mol
Exact Mass	1784.71
IUPAC Name	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
SMILES	c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cccnc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1ccncc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cnccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1ncccc1C2
InChI	InChI=1S/4C33H22N2/c1-3-9-25-19(6-1)14-21-11-12-22-17-26-27(31(22)30(21)25)18-24-15-23-8-5-13-34-33(23)35-29-10-4-2-7-20(29)16-28(26)32(24)35;1-3-8-24-19(6-1)14-21-11-12-22-16-25-26(32(22)31(21)24)17-23-18-28-30(10-5-13-34-28)35-29-9-4-2-7-20(29)15-27(25)33(23)35;1-3-7-25-19(5-1)13-22-9-10-23-16-26-27(32(23)31(22)25)17-24-14-21-11-12-34-18-30(21)35-29-8-4-2-6-20(29)15-28(26)33(24)35;1-3-7-25-19(5-1)13-21-9-10-22-16-26-27(32(22)31(21)25)17-23-14-24-18-34-12-11-30(24)35-29-8-4-2-6-20(29)15-28(26)33(23)35/h1-13,18H,14-17H2;1-13,17H,14-16,18H2;2*1-12,17-18H,13-16H2
InChIKey	DFJLEFNPIITMSK-UHFFFAOYSA-N
XLogP	30.01
TPSA	64.52 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds
Heavy Atoms	140
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1786.21
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cccnc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1ccncc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cnccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1ncccc1C2.

What is the InChIKey of 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?

The InChIKey is DFJLEFNPIITMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C33H22N2/c1-3-9-25-19(6-1)14-21-11-12-22-17-26-27(31(22)30(21)25)18-24-15-23-8-5-13-34-33(23)35-29-10-4-2-7-20(29)16-28(26)32(24)35;1-3-8-24-19(6-1)14-21-11-12-22-16-25-26(32(22)31(21)24)17-23-18-28-30(10-5-13-34-28)35-29-9-4-2-7-20(29)15-27(25)33(23)35;1-3-7-25-19(5-1)13-22-9-10-23-16-26-27(32(23)31(22)25)17-24-14-21-11-12-34-18-30(21)35-29-8-4-2-6-20(29)15-28(26)33(24)35;1-3-7-25-19(5-1)13-21-9-10-22-16-26-27(32(22)31(21)25)17-23-14-24-18-34-12-11-30(24)35-29-8-4-2-6-20(29)15-28(26)33(23)35/h1-13,18H,14-17H2;1-13,17H,14-16,18H2;2*1-12,17-18H,13-16H2.

What are the key properties of 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?

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167557650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).