nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene

C31H32N4Ni — CID 165365752

IUPACnickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene
SMILESCCC1=Cc2cc3[n-]c(cc4nc(cc5[n-]c6c(c1n2)CCc6c5C)C(CC)=C4C)c(CC)c3C.[Ni+2]
InChIInChI=1S/C31H32N4.Ni/c1-7-19-12-20-13-25-16(4)21(8-2)28(33-25)14-26-17(5)22(9-3)29(34-26)15-27-18(6)23-10-11-24(30(19)32-20)31(23)35-27;/h12-15H,7-11H2,1-6H3;/q-2;+2/b20-13-,25-13-,26-14-,27-15-,28-14-,29-15-,30-24-;
InChIKeyGYPMHNJFVGOCQU-LNTMYINISA-N
MW519.32 g/mol
LogP7.14
Rot. Bonds3

About nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene

nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene (PubChem CID 165365752) has the molecular formula C31H32N4Ni and a molecular weight of 519.32 g/mol. Its IUPAC name is nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Namenickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene
PubChem CID165365752
Molecular FormulaC31H32N4Ni
Molecular Weight519.32 g/mol
Exact Mass518.20
IUPAC Namenickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene
SMILESCCC1=Cc2cc3[n-]c(cc4nc(cc5[n-]c6c(c1n2)CCc6c5C)C(CC)=C4C)c(CC)c3C.[Ni+2]
InChIInChI=1S/C31H32N4.Ni/c1-7-19-12-20-13-25-16(4)21(8-2)28(33-25)14-26-17(5)22(9-3)29(34-26)15-27-18(6)23-10-11-24(30(19)32-20)31(23)35-27;/h12-15H,7-11H2,1-6H3;/q-2;+2/b20-13-,25-13-,26-14-,27-15-,28-14-,29-15-,30-24-;
InChIKeyGYPMHNJFVGOCQU-LNTMYINISA-N
XLogP7.14
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.32
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene?
The IUPAC name of nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene (CID 165365752) is nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene.
What is the SMILES notation for nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene?
The canonical SMILES for nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene is CCC1=Cc2cc3[n-]c(cc4nc(cc5[n-]c6c(c1n2)CCc6c5C)C(CC)=C4C)c(CC)c3C.[Ni+2].
What is the InChIKey of nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene?
The InChIKey is GYPMHNJFVGOCQU-LNTMYINISA-N. The full InChI is InChI=1S/C31H32N4.Ni/c1-7-19-12-20-13-25-16(4)21(8-2)28(33-25)14-26-17(5)22(9-3)29(34-26)15-27-18(6)23-10-11-24(30(19)32-20)31(23)35-27;/h12-15H,7-11H2,1-6H3;/q-2;+2/b20-13-,25-13-,26-14-,27-15-,28-14-,29-15-,30-24-;.
What are the key properties of nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene?
nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene has a molecular weight of 519.32 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);11,16,22-triethyl-12,17,26-trimethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene is sourced from PubChem (CID 165365752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).