chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene

C112H64ClN16Ru — CID 58838826

IUPACchlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
SMILESCl[Ru+2].c1ccc2c(c1)ccn2-c1c2c(c(-n3ccc4ccccc43)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(-n5ccc6ccccc65)c5ccccc5c(-n5ccc6ccccc65)c41)-c1c-3c(-n3ccc4ccccc43)c3ccccc3c1-n1ccc3ccccc31)c1c(-n3ccc4ccccc43)c3ccccc3c(-n3ccc4ccccc43)c21
InChIInChI=1S/C112H64N16.ClH.Ru/c1-17-41-81-65(25-1)49-57-121(81)97-73-33-9-10-34-74(73)98(122-58-50-66-26-2-18-42-82(66)122)90-89(97)105-113-106(90)118-108-93-94(102(126-62-54-70-30-6-22-46-86(70)126)78-38-14-13-37-77(78)101(93)125-61-53-69-29-5-21-45-85(69)125)110(115-108)120-112-96-95(103(127-63-55-71-31-7-23-47-87(71)127)79-39-15-16-40-80(79)104(96)128-64-56-72-32-8-24-48-88(72)128)111(116-112)119-109-92-91(107(114-109)117-105)99(123-59-51-67-27-3-19-43-83(67)123)75-35-11-12-36-76(75)100(92)124-60-52-68-28-4-20-44-84(68)124;;/h1-64H;1H;/q-2;;+3/p-1
InChIKeyZHDVCDDLEJNUSA-UHFFFAOYSA-M
MW1770.38 g/mol
LogP26.98
Rot. Bonds8

About chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene

chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene (PubChem CID 58838826) has the molecular formula C112H64ClN16Ru and a molecular weight of 1770.38 g/mol. Its IUPAC name is chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene.

Molecular Properties

Compound Namechlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
PubChem CID58838826
Molecular FormulaC112H64ClN16Ru
Molecular Weight1770.38 g/mol
Exact Mass1769.42
IUPAC Namechlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
SMILESCl[Ru+2].c1ccc2c(c1)ccn2-c1c2c(c(-n3ccc4ccccc43)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(-n5ccc6ccccc65)c5ccccc5c(-n5ccc6ccccc65)c41)-c1c-3c(-n3ccc4ccccc43)c3ccccc3c1-n1ccc3ccccc31)c1c(-n3ccc4ccccc43)c3ccccc3c(-n3ccc4ccccc43)c21
InChIInChI=1S/C112H64N16.ClH.Ru/c1-17-41-81-65(25-1)49-57-121(81)97-73-33-9-10-34-74(73)98(122-58-50-66-26-2-18-42-82(66)122)90-89(97)105-113-106(90)118-108-93-94(102(126-62-54-70-30-6-22-46-86(70)126)78-38-14-13-37-77(78)101(93)125-61-53-69-29-5-21-45-85(69)125)110(115-108)120-112-96-95(103(127-63-55-71-31-7-23-47-87(71)127)79-39-15-16-40-80(79)104(96)128-64-56-72-32-8-24-48-88(72)128)111(116-112)119-109-92-91(107(114-109)117-105)99(123-59-51-67-27-3-19-43-83(67)123)75-35-11-12-36-76(75)100(92)124-60-52-68-28-4-20-44-84(68)124;;/h1-64H;1H;/q-2;;+3/p-1
InChIKeyZHDVCDDLEJNUSA-UHFFFAOYSA-M
XLogP26.98
TPSA144.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.38
LogP ≤ 526.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene with MolForge

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Related Compounds

magnesium 5-N,12-N,18-N,25-N,31-N,38-N,44-N,51-N-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene-5,12,18,25,31,38,44,51-octamine
CID 58838764
copper 5-N,12-N,18-N,25-N,31-N,38-N,44-N,51-N-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene-5,12,18,25,31,38,44,51-octamine
CID 58838765
2,19,36,53,69,71-hexaza-70,72-diazanidaheptadecacyclo[52.14.1.13,18.120,35.137,52.04,17.05,10.011,16.021,34.022,27.028,33.038,51.039,44.045,50.055,68.056,61.062,67]doheptaconta-1,3,5,7,9,11,13,15,17,19,21(34),22,24,26,28,30,32,35(71),36,38(51),39,41,43,45,47,49,52,54(69),55(68),56,58,60,62,64,66-pentatriacontaene;iron(2+)
CID 134915850
1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole
CID 14245429
4-indol-1-ylisoquinoline
CID 68997324
1-[4-(chloromethyl)phenyl]indole
CID 13021305
1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole
CID 174458324
chromium(2+);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 14475251
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;tungsten(2+)
CID 58704007
dichlorozirconium(2+);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 4073246
4,7-di(indol-1-yl)-1,10-phenanthroline
CID 102455108
1-(1H-pyrazol-5-yl)indole
CID 23117277

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?
The IUPAC name of chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene (CID 58838826) is chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene.
What is the SMILES notation for chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?
The canonical SMILES for chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene is Cl[Ru+2].c1ccc2c(c1)ccn2-c1c2c(c(-n3ccc4ccccc43)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(-n5ccc6ccccc65)c5ccccc5c(-n5ccc6ccccc65)c41)-c1c-3c(-n3ccc4ccccc43)c3ccccc3c1-n1ccc3ccccc31)c1c(-n3ccc4ccccc43)c3ccccc3c(-n3ccc4ccccc43)c21.
What is the InChIKey of chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?
The InChIKey is ZHDVCDDLEJNUSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C112H64N16.ClH.Ru/c1-17-41-81-65(25-1)49-57-121(81)97-73-33-9-10-34-74(73)98(122-58-50-66-26-2-18-42-82(66)122)90-89(97)105-113-106(90)118-108-93-94(102(126-62-54-70-30-6-22-46-86(70)126)78-38-14-13-37-77(78)101(93)125-61-53-69-29-5-21-45-85(69)125)110(115-108)120-112-96-95(103(127-63-55-71-31-7-23-47-87(71)127)79-39-15-16-40-80(79)104(96)128-64-56-72-32-8-24-48-88(72)128)111(116-112)119-109-92-91(107(114-109)117-105)99(123-59-51-67-27-3-19-43-83(67)123)75-35-11-12-36-76(75)100(92)124-60-52-68-28-4-20-44-84(68)124;;/h1-64H;1H;/q-2;;+3/p-1.
What are the key properties of chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?
chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene has a molecular weight of 1770.38 g/mol, XLogP of 26.98, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene is sourced from PubChem (CID 58838826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).