1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane

C129H153N3 — CID 167590703

IUPAC1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccc3c(c1-2)Cc1cccc2c4ccccc4n-3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c1Cc1cccc4c5ccccc5n-2c14)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)Cc1cccc3c4ccccc4n-2c13
InChIInChI=1S/3C33H21N.15C2H6/c1-2-8-22-19(6-1)16-27-23(22)13-14-25-28(27)17-20-12-15-31-29(32(20)25)18-21-7-5-10-26-24-9-3-4-11-30(24)34(31)33(21)26;1-2-8-24-19(6-1)14-22-16-23-15-20-12-13-31-29(32(20)28(23)18-27(22)24)17-21-7-5-10-26-25-9-3-4-11-30(25)34(31)33(21)26;1-2-8-24-19(6-1)14-22-18-28-23(17-27(22)24)15-20-12-13-31-29(32(20)28)16-21-7-5-10-26-25-9-3-4-11-30(25)34(31)33(21)26;15*1-2/h1-15H,16-18H2;1-13,16,18H,14-15,17H2;1-13,17-18H,14-16H2;15*1-2H3
InChIKeyIJXNWXZKUBIARZ-UHFFFAOYSA-N
MW1745.66 g/mol
LogP38.88
Rot. Bonds

About 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane

1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane (PubChem CID 167590703) has the molecular formula C129H153N3 and a molecular weight of 1745.66 g/mol. Its IUPAC name is 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane.

Molecular Properties

Compound Name1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane
PubChem CID167590703
Molecular FormulaC129H153N3
Molecular Weight1745.66 g/mol
Exact Mass1744.21
IUPAC Name1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccc3c(c1-2)Cc1cccc2c4ccccc4n-3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c1Cc1cccc4c5ccccc5n-2c14)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)Cc1cccc3c4ccccc4n-2c13
InChIInChI=1S/3C33H21N.15C2H6/c1-2-8-22-19(6-1)16-27-23(22)13-14-25-28(27)17-20-12-15-31-29(32(20)25)18-21-7-5-10-26-24-9-3-4-11-30(24)34(31)33(21)26;1-2-8-24-19(6-1)14-22-16-23-15-20-12-13-31-29(32(20)28(23)18-27(22)24)17-21-7-5-10-26-25-9-3-4-11-30(25)34(31)33(21)26;1-2-8-24-19(6-1)14-22-18-28-23(17-27(22)24)15-20-12-13-31-29(32(20)28)16-21-7-5-10-26-25-9-3-4-11-30(25)34(31)33(21)26;15*1-2/h1-15H,16-18H2;1-13,16,18H,14-15,17H2;1-13,17-18H,14-16H2;15*1-2H3
InChIKeyIJXNWXZKUBIARZ-UHFFFAOYSA-N
XLogP38.88
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001745.66
LogP ≤ 538.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-azanonacyclo[21.10.1.02,21.04,19.06,18.09,17.010,15.027,34.028,33]tetratriaconta-2,4(19),6(18),7,9(17),10,12,14,20,23(34),24,26,28,30,32-pentadecaene
CID 167548772
1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane
CID 167536080
22-azanonacyclo[20.11.1.02,21.04,19.05,17.08,16.010,15.023,28.030,34]tetratriaconta-1(33),2(21),3,5(17),6,8(16),10,12,14,19,23,25,27,30(34),31-pentadecaene
CID 167564385
27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane
CID 161380999
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
1-azanonacyclo[17.14.1.02,7.08,34.09,17.010,15.021,33.022,30.024,29]tetratriaconta-2,4,6,8,10,12,14,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21,23(31),24,26,28-pentadecaene;19-azanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,32.023,31.024,29]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene;ethane
CID 167666691
26-azanonacyclo[17.14.1.02,17.03,15.06,14.07,12.020,25.026,34.027,32]tetratriaconta-1,3(15),4,6(14),7,9,11,17,19(34),20,22,24,27,29,31-pentadecaene
CID 167571724
1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene
CID 167594135
26-azanonacyclo[17.14.1.02,17.03,15.06,14.08,13.020,25.026,34.027,32]tetratriaconta-1,3(15),4,6(14),8,10,12,17,19(34),20,22,24,27,29,31-pentadecaene
CID 167571725
1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene
CID 167580378
1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane
CID 167644230
27-azanonacyclo[17.14.1.02,17.03,15.05,13.06,11.021,26.027,34.028,33]tetratriaconta-1(34),2(17),3(15),4,6,8,10,13,18,21,23,25,28,30,32-pentadecaene
CID 167606385

Frequently Asked Questions

What is the IUPAC name of 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane?
The IUPAC name of 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane (CID 167590703) is 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane.
What is the SMILES notation for 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane?
The canonical SMILES for 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccc3c(c1-2)Cc1cccc2c4ccccc4n-3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1c(ccc2c1Cc1cccc4c5ccccc5n-2c14)C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2c(c1-3)Cc1cccc3c4ccccc4n-2c13.
What is the InChIKey of 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane?
The InChIKey is IJXNWXZKUBIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H21N.15C2H6/c1-2-8-22-19(6-1)16-27-23(22)13-14-25-28(27)17-20-12-15-31-29(32(20)25)18-21-7-5-10-26-24-9-3-4-11-30(24)34(31)33(21)26;1-2-8-24-19(6-1)14-22-16-23-15-20-12-13-31-29(32(20)28(23)18-27(22)24)17-21-7-5-10-26-25-9-3-4-11-30(25)34(31)33(21)26;1-2-8-24-19(6-1)14-22-18-28-23(17-27(22)24)15-20-12-13-31-29(32(20)28)16-21-7-5-10-26-25-9-3-4-11-30(25)34(31)33(21)26;15*1-2/h1-15H,16-18H2;1-13,16,18H,14-15,17H2;1-13,17-18H,14-16H2;15*1-2H3.
What are the key properties of 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane?
1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane has a molecular weight of 1745.66 g/mol, XLogP of 38.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane is sourced from PubChem (CID 167590703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).