38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

C32H18N8O2Si — CID 4081430

IUPAC38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
SMILESO[Si]1(O)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12
InChIInChI=1S/C32H18N8O2Si/c41-43(42)39-29-21-13-5-6-14-22(21)31(39)37-27-19-11-3-4-12-20(19)28(34-27)38-32-24-16-8-7-15-23(24)30(40(32)43)36-26-18-10-2-1-9-17(18)25(33-26)35-29/h1-16,41-42H/b35-25-,35-29-,36-26-,36-30-,37-27-,37-31-,38-28-,38-32-
InChIKeyIKEIGECHKXPQKT-GMKHRMEJSA-N
MW574.64 g/mol
LogP3.36
Rot. Bonds

About 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene (PubChem CID 4081430) has the molecular formula C32H18N8O2Si and a molecular weight of 574.64 g/mol. Its IUPAC name is 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene.

Molecular Properties

Compound Name38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
PubChem CID4081430
Molecular FormulaC32H18N8O2Si
Molecular Weight574.64 g/mol
Exact Mass574.13
IUPAC Name38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
SMILESO[Si]1(O)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12
InChIInChI=1S/C32H18N8O2Si/c41-43(42)39-29-21-13-5-6-14-22(21)31(39)37-27-19-11-3-4-12-20(19)28(34-27)38-32-24-16-8-7-15-23(24)30(40(32)43)36-26-18-10-2-1-9-17(18)25(33-26)35-29/h1-16,41-42H/b35-25-,35-29-,36-26-,36-30-,37-27-,37-31-,38-28-,38-32-
InChIKeyIKEIGECHKXPQKT-GMKHRMEJSA-N
XLogP3.36
TPSA124.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.64
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
The IUPAC name of 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene (CID 4081430) is 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene.
What is the SMILES notation for 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
The canonical SMILES for 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene is O[Si]1(O)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12.
What is the InChIKey of 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
The InChIKey is IKEIGECHKXPQKT-GMKHRMEJSA-N. The full InChI is InChI=1S/C32H18N8O2Si/c41-43(42)39-29-21-13-5-6-14-22(21)31(39)37-27-19-11-3-4-12-20(19)28(34-27)38-32-24-16-8-7-15-23(24)30(40(32)43)36-26-18-10-2-1-9-17(18)25(33-26)35-29/h1-16,41-42H/b35-25-,35-29-,36-26-,36-30-,37-27-,37-31-,38-28-,38-32-.
What are the key properties of 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene has a molecular weight of 574.64 g/mol, XLogP of 3.36, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene is sourced from PubChem (CID 4081430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).