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

C32H21N3 — CID 167655333

IUPAC1,24,30-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
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)N1c3cccnc3Cc3ccnc(c31)C2
InChIInChI=1S/C32H21N3/c1-2-5-24-18(4-1)10-21-14-26-22(13-25(21)24)11-20-12-23-16-29-32-19(7-9-34-29)15-28-30(6-3-8-33-28)35(32)31(23)17-27(20)26/h1-9,12-14,17H,10-11,15-16H2
InChIKeyDEOJHFVQJWAZEM-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.90
Rot. Bonds

About 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

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 (PubChem CID 167655333) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,24,30-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
PubChem CID167655333
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name1,24,30-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
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)N1c3cccnc3Cc3ccnc(c31)C2
InChIInChI=1S/C32H21N3/c1-2-5-24-18(4-1)10-21-14-26-22(13-25(21)24)11-20-12-23-16-29-32-19(7-9-34-29)15-28-30(6-3-8-33-28)35(32)31(23)17-27(20)26/h1-9,12-14,17H,10-11,15-16H2
InChIKeyDEOJHFVQJWAZEM-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 1,24,30-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 with MolForge

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Related Compounds

1,26,30-triazanonacyclo[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
CID 167555340
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
1,24-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
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
1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 167580682
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
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
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
1,24-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
1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 167548940
1,33-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 167622182
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)N1c3cccnc3Cc3ccnc(c31)C2.
What is the InChIKey of 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?
The InChIKey is DEOJHFVQJWAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-5-24-18(4-1)10-21-14-26-22(13-25(21)24)11-20-12-23-16-29-32-19(7-9-34-29)15-28-30(6-3-8-33-28)35(32)31(23)17-27(20)26/h1-9,12-14,17H,10-11,15-16H2.
What are the key properties of 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?
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 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 1,24,30-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 is sourced from PubChem (CID 167655333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).