spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone

C30H45N11O11 — CID 164851488

IUPACspiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone
SMILESO=C1CCNC(=O)CNC(=O)C2(CCCC2)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
InChIInChI=1S/C30H45N11O11/c42-19-5-8-31-20(43)16-39-29(52)30(6-1-2-7-30)40-28(51)18-4-3-9-41(18)27(50)17-38-26(49)15-37-25(48)14-36-24(47)13-35-23(46)12-34-22(45)11-33-21(44)10-32-19/h18H,1-17H2,(H,31,43)(H,32,42)(H,33,44)(H,34,45)(H,35,46)(H,36,47)(H,37,48)(H,38,49)(H,39,52)(H,40,51)
InChIKeyGFJNIXUBQSTEIR-UHFFFAOYSA-N
MW735.76 g/mol
LogP-7.14
Rot. Bonds

About spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone

spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone (PubChem CID 164851488) has the molecular formula C30H45N11O11 and a molecular weight of 735.76 g/mol. Its IUPAC name is spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone.

Molecular Properties

Compound Namespiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone
PubChem CID164851488
Molecular FormulaC30H45N11O11
Molecular Weight735.76 g/mol
Exact Mass735.33
IUPAC Namespiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone
SMILESO=C1CCNC(=O)CNC(=O)C2(CCCC2)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
InChIInChI=1S/C30H45N11O11/c42-19-5-8-31-20(43)16-39-29(52)30(6-1-2-7-30)40-28(51)18-4-3-9-41(18)27(50)17-38-26(49)15-37-25(48)14-36-24(47)13-35-23(46)12-34-22(45)11-33-21(44)10-32-19/h18H,1-17H2,(H,31,43)(H,32,42)(H,33,44)(H,34,45)(H,35,46)(H,36,47)(H,37,48)(H,38,49)(H,39,52)(H,40,51)
InChIKeyGFJNIXUBQSTEIR-UHFFFAOYSA-N
XLogP-7.14
TPSA311.31 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.76
LogP ≤ 5-7.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Analyze spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone with MolForge

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone?
The IUPAC name of spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone (CID 164851488) is spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone.
What is the SMILES notation for spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone?
The canonical SMILES for spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone is O=C1CCNC(=O)CNC(=O)C2(CCCC2)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1.
What is the InChIKey of spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone?
The InChIKey is GFJNIXUBQSTEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N11O11/c42-19-5-8-31-20(43)16-39-29(52)30(6-1-2-7-30)40-28(51)18-4-3-9-41(18)27(50)17-38-26(49)15-37-25(48)14-36-24(47)13-35-23(46)12-34-22(45)11-33-21(44)10-32-19/h18H,1-17H2,(H,31,43)(H,32,42)(H,33,44)(H,34,45)(H,35,46)(H,36,47)(H,37,48)(H,38,49)(H,39,52)(H,40,51).
What are the key properties of spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone?
spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone has a molecular weight of 735.76 g/mol, XLogP of -7.14, 0 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone is sourced from PubChem (CID 164851488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).