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

C33H21N — CID 167571725

IUPAC26-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
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4ccccc4n4c2c(c1-3)Cc1ccccc1-4
InChIInChI=1S/C33H21N/c1-3-9-23-19(7-1)15-21-13-14-25-26(31(21)23)17-22-18-27-24-10-4-6-12-30(24)34-29-11-5-2-8-20(29)16-28(32(22)25)33(27)34/h1-14,18H,15-17H2
InChIKeyRQSZUGHLMXPNBV-UHFFFAOYSA-N
MW431.54 g/mol
LogP7.83
Rot. Bonds

About 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

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 (PubChem CID 167571725) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name26-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
PubChem CID167571725
Molecular FormulaC33H21N
Molecular Weight431.54 g/mol
Exact Mass431.17
IUPAC Name26-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
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4ccccc4n4c2c(c1-3)Cc1ccccc1-4
InChIInChI=1S/C33H21N/c1-3-9-23-19(7-1)15-21-13-14-25-26(31(21)23)17-22-18-27-24-10-4-6-12-30(24)34-29-11-5-2-8-20(29)16-28(32(22)25)33(27)34/h1-14,18H,15-17H2
InChIKeyRQSZUGHLMXPNBV-UHFFFAOYSA-N
XLogP7.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene
CID 167630756
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
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
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[20.11.1.02,21.03,18.05,17.06,14.07,12.026,34.028,33]tetratriaconta-2(21),3(18),5(17),6(14),7,9,11,15,19,22,24,26(34),28,30,32-pentadecaene
CID 167575088
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
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
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
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408
21,35-diazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,22,24,26,28,30,32,34-hexadecaene
CID 158917113
29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene
CID 158301549

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4ccccc4n4c2c(c1-3)Cc1ccccc1-4.
What is the InChIKey of 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?
The InChIKey is RQSZUGHLMXPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-3-9-23-19(7-1)15-21-13-14-25-26(31(21)23)17-22-18-27-24-10-4-6-12-30(24)34-29-11-5-2-8-20(29)16-28(32(22)25)33(27)34/h1-14,18H,15-17H2.
What are the key properties of 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?
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 has a molecular weight of 431.54 g/mol, XLogP of 7.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167571725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).