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

C33H21N — CID 167564385

IUPAC22-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
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)c1cccc3c1n2-c1ccccc1C3
InChIInChI=1S/C33H21N/c1-3-9-24-19(6-1)14-21-12-13-25-27-18-28-26-10-5-8-22-15-20-7-2-4-11-30(20)34(33(22)26)31(28)17-23(27)16-29(25)32(21)24/h1-13,17-18H,14-16H2
InChIKeyGHYOMJWHSLUYDP-UHFFFAOYSA-N
MW431.54 g/mol
LogP7.83
Rot. Bonds

About 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

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 (PubChem CID 167564385) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name22-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
PubChem CID167564385
Molecular FormulaC33H21N
Molecular Weight431.54 g/mol
Exact Mass431.17
IUPAC Name22-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
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)c1cccc3c1n2-c1ccccc1C3
InChIInChI=1S/C33H21N/c1-3-9-24-19(6-1)14-21-12-13-25-27-18-28-26-10-5-8-22-15-20-7-2-4-11-30(20)34(33(22)26)31(28)17-23(27)16-29(25)32(21)24/h1-13,17-18H,14-16H2
InChIKeyGHYOMJWHSLUYDP-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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)c1cccc3c1n2-c1ccccc1C3.
What is the InChIKey of 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?
The InChIKey is GHYOMJWHSLUYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-3-9-24-19(6-1)14-21-12-13-25-27-18-28-26-10-5-8-22-15-20-7-2-4-11-30(20)34(33(22)26)31(28)17-23(27)16-29(25)32(21)24/h1-13,17-18H,14-16H2.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 167564385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).