nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

C144H176N8NiO8 — CID 16658791

IUPACnickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
SMILESCC(C)(C)c1cc(Oc2cc3c(cc2Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2cc(Oc6cc(C(C)(C)C)cc(C(C)(C)C)c6)c(Oc6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc52)-c2cc(Oc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c(Oc5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc2-4)c2cc(Oc4cc(C(C)(C)C)cc(C(C)(C)C)c4)c(Oc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc32)cc(C(C)(C)C)c1.[Ni+2]
InChIInChI=1S/C144H176N8O8.Ni/c1-129(2,3)81-49-82(130(4,5)6)58-97(57-81)153-113-73-105-106(74-114(113)154-98-59-83(131(7,8)9)50-84(60-98)132(10,11)12)122-145-121(105)149-123-107-75-115(155-99-61-85(133(13,14)15)51-86(62-99)134(16,17)18)116(156-100-63-87(135(19,20)21)52-88(64-100)136(22,23)24)76-108(107)125(146-123)151-127-111-79-119(159-103-69-93(141(37,38)39)55-94(70-103)142(40,41)42)120(160-104-71-95(143(43,44)45)56-96(72-104)144(46,47)48)80-112(111)128(148-127)152-126-110-78-118(158-102-67-91(139(31,32)33)54-92(68-102)140(34,35)36)117(77-109(110)124(147-126)150-122)157-101-65-89(137(25,26)27)53-90(66-101)138(28,29)30;/h49-80H,1-48H3;/q-2;+2
InChIKeySLBKOJSVJLMMCK-UHFFFAOYSA-N
MW2205.73 g/mol
LogP41.22
Rot. Bonds16

About nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 16658791) has the molecular formula C144H176N8NiO8 and a molecular weight of 2205.73 g/mol. Its IUPAC name is nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

Compound Namenickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
PubChem CID16658791
Molecular FormulaC144H176N8NiO8
Molecular Weight2205.73 g/mol
Exact Mass2203.30
IUPAC Namenickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
SMILESCC(C)(C)c1cc(Oc2cc3c(cc2Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2cc(Oc6cc(C(C)(C)C)cc(C(C)(C)C)c6)c(Oc6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc52)-c2cc(Oc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c(Oc5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc2-4)c2cc(Oc4cc(C(C)(C)C)cc(C(C)(C)C)c4)c(Oc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc32)cc(C(C)(C)C)c1.[Ni+2]
InChIInChI=1S/C144H176N8O8.Ni/c1-129(2,3)81-49-82(130(4,5)6)58-97(57-81)153-113-73-105-106(74-114(113)154-98-59-83(131(7,8)9)50-84(60-98)132(10,11)12)122-145-121(105)149-123-107-75-115(155-99-61-85(133(13,14)15)51-86(62-99)134(16,17)18)116(156-100-63-87(135(19,20)21)52-88(64-100)136(22,23)24)76-108(107)125(146-123)151-127-111-79-119(159-103-69-93(141(37,38)39)55-94(70-103)142(40,41)42)120(160-104-71-95(143(43,44)45)56-96(72-104)144(46,47)48)80-112(111)128(148-127)152-126-110-78-118(158-102-67-91(139(31,32)33)54-92(68-102)140(34,35)36)117(77-109(110)124(147-126)150-122)157-101-65-89(137(25,26)27)53-90(66-101)138(28,29)30;/h49-80H,1-48H3;/q-2;+2
InChIKeySLBKOJSVJLMMCK-UHFFFAOYSA-N
XLogP41.22
TPSA179.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.73
LogP ≤ 541.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
The IUPAC name of nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (CID 16658791) is nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.
What is the SMILES notation for nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
The canonical SMILES for nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is CC(C)(C)c1cc(Oc2cc3c(cc2Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2cc(Oc6cc(C(C)(C)C)cc(C(C)(C)C)c6)c(Oc6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc52)-c2cc(Oc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c(Oc5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc2-4)c2cc(Oc4cc(C(C)(C)C)cc(C(C)(C)C)c4)c(Oc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc32)cc(C(C)(C)C)c1.[Ni+2].
What is the InChIKey of nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
The InChIKey is SLBKOJSVJLMMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H176N8O8.Ni/c1-129(2,3)81-49-82(130(4,5)6)58-97(57-81)153-113-73-105-106(74-114(113)154-98-59-83(131(7,8)9)50-84(60-98)132(10,11)12)122-145-121(105)149-123-107-75-115(155-99-61-85(133(13,14)15)51-86(62-99)134(16,17)18)116(156-100-63-87(135(19,20)21)52-88(64-100)136(22,23)24)76-108(107)125(146-123)151-127-111-79-119(159-103-69-93(141(37,38)39)55-94(70-103)142(40,41)42)120(160-104-71-95(143(43,44)45)56-96(72-104)144(46,47)48)80-112(111)128(148-127)152-126-110-78-118(158-102-67-91(139(31,32)33)54-92(68-102)140(34,35)36)117(77-109(110)124(147-126)150-122)157-101-65-89(137(25,26)27)53-90(66-101)138(28,29)30;/h49-80H,1-48H3;/q-2;+2.
What are the key properties of nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?
nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 2205.73 g/mol, XLogP of 41.22, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);6,7,15,16,24,25,33,34-octakis(3,5-ditert-butylphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 16658791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).