2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane

C24H45N9 — CID 90932539

IUPAC2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane
SMILESC1CC2CCC3NC4CCC5CCC(NC6CCC7CCC(NC1NC2N3)NC7N6)NC5N4
InChIInChI=1S/C24H45N9/c1-7-16-25-18-9-3-14-5-11-20(32-23(14)30-18)27-21-12-6-15-4-10-19(31-24(15)33-21)26-17-8-2-13(1)22(28-16)29-17/h13-33H,1-12H2
InChIKeyGTUGQBQEBICHMN-UHFFFAOYSA-N
MW459.69 g/mol
LogP-0.15
Rot. Bonds

About 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane

2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane (PubChem CID 90932539) has the molecular formula C24H45N9 and a molecular weight of 459.69 g/mol. Its IUPAC name is 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane.

Molecular Properties

Compound Name2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane
PubChem CID90932539
Molecular FormulaC24H45N9
Molecular Weight459.69 g/mol
Exact Mass459.38
IUPAC Name2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane
SMILESC1CC2CCC3NC4CCC5CCC(NC6CCC7CCC(NC1NC2N3)NC7N6)NC5N4
InChIInChI=1S/C24H45N9/c1-7-16-25-18-9-3-14-5-11-20(32-23(14)30-18)27-21-12-6-15-4-10-19(31-24(15)33-21)26-17-8-2-13(1)22(28-16)29-17/h13-33H,1-12H2
InChIKeyGTUGQBQEBICHMN-UHFFFAOYSA-N
XLogP-0.15
TPSA108.27 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.69
LogP ≤ 5-0.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane?
The IUPAC name of 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane (CID 90932539) is 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane.
What is the SMILES notation for 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane?
The canonical SMILES for 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane is C1CC2CCC3NC4CCC5CCC(NC6CCC7CCC(NC1NC2N3)NC7N6)NC5N4.
What is the InChIKey of 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane?
The InChIKey is GTUGQBQEBICHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N9/c1-7-16-25-18-9-3-14-5-11-20(32-23(14)30-18)27-21-12-6-15-4-10-19(31-24(15)33-21)26-17-8-2-13(1)22(28-16)29-17/h13-33H,1-12H2.
What are the key properties of 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane?
2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane has a molecular weight of 459.69 g/mol, XLogP of -0.15, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,18,25,27,28,30,31,33-nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane is sourced from PubChem (CID 90932539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).