22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene

C33H22N2 — CID 167580777

IUPAC22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cccnc1C2
InChIInChI=1S/C33H22N2/c1-3-8-24-19(6-1)12-21-13-22-15-28-27(26(22)18-25(21)24)16-23-17-30-32(10-5-11-34-30)35-31-9-4-2-7-20(31)14-29(28)33(23)35/h1-11,13,16,18H,12,14-15,17H2
InChIKeyFCUFNELXDDPAQK-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.50
Rot. Bonds

About 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene

22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene (PubChem CID 167580777) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene.

Molecular Properties

Compound Name22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene
PubChem CID167580777
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cccnc1C2
InChIInChI=1S/C33H22N2/c1-3-8-24-19(6-1)12-21-13-22-15-28-27(26(22)18-25(21)24)16-23-17-30-32(10-5-11-34-30)35-31-9-4-2-7-20(31)14-29(28)33(23)35/h1-11,13,16,18H,12,14-15,17H2
InChIKeyFCUFNELXDDPAQK-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 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene with MolForge

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Related Compounds

27,32-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167554141
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
4,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;5,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;5,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;6,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;6,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;7,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene
CID 167566000
22,27-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(26),22,24,28,30,32-pentadecaene;23,27-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(26),22,24,28,30,32-pentadecaene;24,27-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(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 167636493
27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene
CID 167562075
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
1,24,30-triazanonacyclo[21.11.1.02,21.04,19.05,17.07,15.09,14.027,35.029,34]pentatriaconta-2(21),3,5(17),6,9,11,13,15,19,23,25,27(35),29(34),30,32-pentadecaene
CID 167655333
27,29-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,29-diazanonacyclo[17.15.1.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene;27,29-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene;27,30-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,30-diazanonacyclo[17.15.1.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene;27,30-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene;27,31-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;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;27,31-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene;27,32-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,32-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;27,32-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167708814
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
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
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

Frequently Asked Questions

What is the IUPAC name of 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene?
The IUPAC name of 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene (CID 167580777) is 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene.
What is the SMILES notation for 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene?
The canonical SMILES for 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4c(c1C3)Cc1ccccc1N4c1cccnc1C2.
What is the InChIKey of 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene?
The InChIKey is FCUFNELXDDPAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-8-24-19(6-1)12-21-13-22-15-28-27(26(22)18-25(21)24)16-23-17-30-32(10-5-11-34-30)35-31-9-4-2-7-20(31)14-29(28)33(23)35/h1-11,13,16,18H,12,14-15,17H2.
What are the key properties of 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene?
22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-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 22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene is sourced from PubChem (CID 167580777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).