25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene

C32H21N3 — CID 167534298

IUPAC25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4c(c1-3)Cc1cnccc1N4c1ncccc1C2
InChIInChI=1S/C32H21N3/c1-2-6-24-18(4-1)12-19-7-8-25-26(29(19)24)15-21-14-22-13-20-5-3-10-34-32(20)35-28-9-11-33-17-23(28)16-27(30(21)25)31(22)35/h1-11,14,17H,12-13,15-16H2
InChIKeyREAHVNMVMKBYKY-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.90
Rot. Bonds

About 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene

25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene (PubChem CID 167534298) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene.

Molecular Properties

Compound Name25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene
PubChem CID167534298
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4c(c1-3)Cc1cnccc1N4c1ncccc1C2
InChIInChI=1S/C32H21N3/c1-2-6-24-18(4-1)12-19-7-8-25-26(29(19)24)15-21-14-22-13-20-5-3-10-34-32(20)35-28-9-11-33-17-23(28)16-27(30(21)25)31(22)35/h1-11,14,17H,12-13,15-16H2
InChIKeyREAHVNMVMKBYKY-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 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene with MolForge

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Related Compounds

23,27,29-triazanonacyclo[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(26),22,24,28(33),29,31-pentadecaene
CID 167602046
25,27,31-triazanonacyclo[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(33),29,31-pentadecaene
CID 167578123
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;1,4-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
1,3-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
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
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
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
22,27,29-triazanonacyclo[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(33),29,31-pentadecaene;23,27,29-triazanonacyclo[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(33),29,31-pentadecaene;24,27,29-triazanonacyclo[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(33),29,31-pentadecaene;25,27,29-triazanonacyclo[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(33),29,31-pentadecaene
CID 167645209
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
7,9,11-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
CID 167544398

Frequently Asked Questions

What is the IUPAC name of 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?
The IUPAC name of 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene (CID 167534298) is 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene.
What is the SMILES notation for 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?
The canonical SMILES for 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4c(c1-3)Cc1cnccc1N4c1ncccc1C2.
What is the InChIKey of 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?
The InChIKey is REAHVNMVMKBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-6-24-18(4-1)12-19-7-8-25-26(29(19)24)15-21-14-22-13-20-5-3-10-34-32(20)35-28-9-11-33-17-23(28)16-27(30(21)25)31(22)35/h1-11,14,17H,12-13,15-16H2.
What are the key properties of 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene?
25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-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 25,27,31-triazanonacyclo[17.15.1.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene is sourced from PubChem (CID 167534298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).