34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane

C33H59N5 — CID 71156380

IUPAC34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
SMILESC1CC2CC3CC4CCCC(N4)C4CCCC(CC(CC(C1)N2)CC1CCCC(N1)C1CCCC(C3)N1)N4
InChIInChI=1S/C33H59N5/c1-6-24-16-22-18-26-8-2-12-30(35-26)31-13-3-9-27(36-31)20-23(17-25(7-1)34-24)21-29-11-5-15-33(38-29)32-14-4-10-28(19-22)37-32/h22-38H,1-21H2
InChIKeyTZVKUBAJFFVLEU-UHFFFAOYSA-N
MW525.87 g/mol
LogP5.14
Rot. Bonds

About 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane

34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane (PubChem CID 71156380) has the molecular formula C33H59N5 and a molecular weight of 525.87 g/mol. Its IUPAC name is 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane.

Molecular Properties

Compound Name34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
PubChem CID71156380
Molecular FormulaC33H59N5
Molecular Weight525.87 g/mol
Exact Mass525.48
IUPAC Name34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
SMILESC1CC2CC3CC4CCCC(N4)C4CCCC(CC(CC(C1)N2)CC1CCCC(N1)C1CCCC(C3)N1)N4
InChIInChI=1S/C33H59N5/c1-6-24-16-22-18-26-8-2-12-30(35-26)31-13-3-9-27(36-31)20-23(17-25(7-1)34-24)21-29-11-5-15-33(38-29)32-14-4-10-28(19-22)37-32/h22-38H,1-21H2
InChIKeyTZVKUBAJFFVLEU-UHFFFAOYSA-N
XLogP5.14
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.87
LogP ≤ 55.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane?
The IUPAC name of 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane (CID 71156380) is 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane.
What is the SMILES notation for 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane?
The canonical SMILES for 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane is C1CC2CC3CC4CCCC(N4)C4CCCC(CC(CC(C1)N2)CC1CCCC(N1)C1CCCC(C3)N1)N4.
What is the InChIKey of 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane?
The InChIKey is TZVKUBAJFFVLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H59N5/c1-6-24-16-22-18-26-8-2-12-30(35-26)31-13-3-9-27(36-31)20-23(17-25(7-1)34-24)21-29-11-5-15-33(38-29)32-14-4-10-28(19-22)37-32/h22-38H,1-21H2.
What are the key properties of 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane?
34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane has a molecular weight of 525.87 g/mol, XLogP of 5.14, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 34,35,36,37,38-pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane is sourced from PubChem (CID 71156380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).