9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene

C30H16N2 — CID 102040578

IUPAC9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene
SMILESc1ccc2c(c1)c1c3c4ccccc4n4c5ccccc5c(c5c6ccccc6n2c15)c34
InChIInChI=1S/C30H16N2/c1-5-13-21-17(9-1)25-26-18-10-2-7-15-23(18)32-24-16-8-4-12-20(24)28(30(26)32)27-19-11-3-6-14-22(19)31(21)29(25)27/h1-16H
InChIKeyHAOJIFVWQMJXSX-UHFFFAOYSA-N
MW404.47 g/mol
LogP7.99
Rot. Bonds

About 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene

9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene (PubChem CID 102040578) has the molecular formula C30H16N2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene.

Molecular Properties

Compound Name9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene
PubChem CID102040578
Molecular FormulaC30H16N2
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene
SMILESc1ccc2c(c1)c1c3c4ccccc4n4c5ccccc5c(c5c6ccccc6n2c15)c34
InChIInChI=1S/C30H16N2/c1-5-13-21-17(9-1)25-26-18-10-2-7-15-23(18)32-24-16-8-4-12-20(24)28(30(26)32)27-19-11-3-6-14-22(19)31(21)29(25)27/h1-16H
InChIKeyHAOJIFVWQMJXSX-UHFFFAOYSA-N
XLogP7.99
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene?
The IUPAC name of 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene (CID 102040578) is 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene.
What is the SMILES notation for 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene?
The canonical SMILES for 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene is c1ccc2c(c1)c1c3c4ccccc4n4c5ccccc5c(c5c6ccccc6n2c15)c34.
What is the InChIKey of 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene?
The InChIKey is HAOJIFVWQMJXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2/c1-5-13-21-17(9-1)25-26-18-10-2-7-15-23(18)32-24-16-8-4-12-20(24)28(30(26)32)27-19-11-3-6-14-22(19)31(21)29(25)27/h1-16H.
What are the key properties of 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene?
9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene has a molecular weight of 404.47 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene is sourced from PubChem (CID 102040578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).