CID 160576170

C235H146N25O3Pd5Si2-3 — CID 160576170

IUPAC—
SMILESCN1C=CN(c2[c-]c([Si](c3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)[CH-]1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(C2N=CC=N2)cccc1[Si](c1[c-]c2c(cc1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)cccc1-n1ncc2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2c2ccnn32)ccc2c3ccc4c(c5ccccc5n4-c4ccccc4)c3n(-c3ccccn3)c12
InChIInChI=1S/C51H36N5Si.C50H33N5Si.C48H27N5O.C44H25N5O.C42H25N5O.5Pd/c1-53-32-33-54(36-53)38-18-15-23-41(34-38)57(39-19-7-3-8-20-39,40-21-9-4-10-22-40)42-27-28-43-44-29-30-47-50(51(44)56(48(43)35-42)49-26-13-14-31-52-49)45-24-11-12-25-46(45)55(47)37-16-5-2-6-17-37;1-4-16-36(17-5-1)54-44-24-11-10-23-43(44)48-45(54)29-28-42-41-27-26-40(34-46(41)55(49(42)48)47-25-12-13-30-51-47)56(37-18-6-2-7-19-37,38-20-8-3-9-21-38)39-22-14-15-35(33-39)50-52-31-32-53-50;1-2-12-30(13-3-1)51-41-18-8-5-15-37(41)46-43(51)26-25-36-35-24-22-32(29-44(35)53(47(36)46)45-20-10-11-27-49-45)54-31-21-23-33-34-14-4-7-17-40(34)52-42-19-9-6-16-39(42)50-48(52)38(33)28-31;1-2-10-28(11-3-1)47-37-15-7-6-14-36(37)43-39(47)22-21-35-34-20-18-29(26-40(34)48(44(35)43)42-16-8-9-24-45-42)50-30-17-19-33-31-12-4-5-13-32(31)38-23-25-46-49(38)41(33)27-30;1-2-12-29(13-3-1)45-37-18-7-5-16-35(37)41-38(45)23-22-34-33-21-20-32(26-39(33)46(42(34)41)40-19-8-9-24-43-40)48-31-15-10-14-30(25-31)47-36-17-6-4-11-28(36)27-44-47;;;;;/h2-33,36H,1H3;1-32,50H;1-27H;1-25H;1-24,27H;;;;;/q-3;4*-2;;4*+2
InChIKeyYMDGJCUEASRTCY-UHFFFAOYSA-N
MW3956.20 g/mol
LogP49.40
Rot. Bonds27

About CID 160576170

CID 160576170 (PubChem CID 160576170) has the molecular formula C235H146N25O3Pd5Si2-3 and a molecular weight of 3956.20 g/mol.

Molecular Properties

Compound NameCID 160576170
PubChem CID160576170
Molecular FormulaC235H146N25O3Pd5Si2-3
Molecular Weight3956.20 g/mol
Exact Mass3950.68
IUPAC Name—
SMILESCN1C=CN(c2[c-]c([Si](c3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)[CH-]1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(C2N=CC=N2)cccc1[Si](c1[c-]c2c(cc1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)cccc1-n1ncc2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2c2ccnn32)ccc2c3ccc4c(c5ccccc5n4-c4ccccc4)c3n(-c3ccccn3)c12
InChIInChI=1S/C51H36N5Si.C50H33N5Si.C48H27N5O.C44H25N5O.C42H25N5O.5Pd/c1-53-32-33-54(36-53)38-18-15-23-41(34-38)57(39-19-7-3-8-20-39,40-21-9-4-10-22-40)42-27-28-43-44-29-30-47-50(51(44)56(48(43)35-42)49-26-13-14-31-52-49)45-24-11-12-25-46(45)55(47)37-16-5-2-6-17-37;1-4-16-36(17-5-1)54-44-24-11-10-23-43(44)48-45(54)29-28-42-41-27-26-40(34-46(41)55(49(42)48)47-25-12-13-30-51-47)56(37-18-6-2-7-19-37,38-20-8-3-9-21-38)39-22-14-15-35(33-39)50-52-31-32-53-50;1-2-12-30(13-3-1)51-41-18-8-5-15-37(41)46-43(51)26-25-36-35-24-22-32(29-44(35)53(47(36)46)45-20-10-11-27-49-45)54-31-21-23-33-34-14-4-7-17-40(34)52-42-19-9-6-16-39(42)50-48(52)38(33)28-31;1-2-10-28(11-3-1)47-37-15-7-6-14-36(37)43-39(47)22-21-35-34-20-18-29(26-40(34)48(44(35)43)42-16-8-9-24-45-42)50-30-17-19-33-31-12-4-5-13-32(31)38-23-25-46-49(38)41(33)27-30;1-2-12-29(13-3-1)45-37-18-7-5-16-35(37)41-38(45)23-22-34-33-21-20-32(26-39(33)46(42(34)41)40-19-8-9-24-43-40)48-31-15-10-14-30(25-31)47-36-17-6-4-11-28(36)27-44-47;;;;;/h2-33,36H,1H3;1-32,50H;1-27H;1-25H;1-24,27H;;;;;/q-3;4*-2;;4*+2
InChIKeyYMDGJCUEASRTCY-UHFFFAOYSA-N
XLogP49.40
TPSA225.06 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003956.20
LogP ≤ 549.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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Related Compounds

10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide
CID 161147000
CID 154610877
CID 154610877
CID 154610967
CID 154610967
CID 154611166
CID 154611166
CID 170672584
CID 170672584
2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 169021355
CID 163825798
CID 163825798
2-[3-(5,6-dimethylindazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155606560
9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)
CID 171769127
10-[fluoro-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;10-[fluoro(12H-phenanthro[10,9-b]pyridin-12-id-11-yl)methyl]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-diphenyl-(12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-id-10-yl)silane;[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-diphenyl-(12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-id-10-yl)silane;tris(palladium);bis(palladium(2+));12H-phenanthro[10,9-b]pyridin-12-id-11-yl-diphenyl-(12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-id-10-yl)silane
CID 157386338
9-(5-fluoro-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169021311
8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411656

Frequently Asked Questions

What is the IUPAC name of CID 160576170?
The IUPAC name of CID 160576170 (CID 160576170) is not available.
What is the SMILES notation for CID 160576170?
The canonical SMILES for CID 160576170 is CN1C=CN(c2[c-]c([Si](c3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)[CH-]1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(C2N=CC=N2)cccc1[Si](c1[c-]c2c(cc1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)cccc1-n1ncc2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2c2ccnn32)ccc2c3ccc4c(c5ccccc5n4-c4ccccc4)c3n(-c3ccccn3)c12.
What is the InChIKey of CID 160576170?
The InChIKey is YMDGJCUEASRTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N5Si.C50H33N5Si.C48H27N5O.C44H25N5O.C42H25N5O.5Pd/c1-53-32-33-54(36-53)38-18-15-23-41(34-38)57(39-19-7-3-8-20-39,40-21-9-4-10-22-40)42-27-28-43-44-29-30-47-50(51(44)56(48(43)35-42)49-26-13-14-31-52-49)45-24-11-12-25-46(45)55(47)37-16-5-2-6-17-37;1-4-16-36(17-5-1)54-44-24-11-10-23-43(44)48-45(54)29-28-42-41-27-26-40(34-46(41)55(49(42)48)47-25-12-13-30-51-47)56(37-18-6-2-7-19-37,38-20-8-3-9-21-38)39-22-14-15-35(33-39)50-52-31-32-53-50;1-2-12-30(13-3-1)51-41-18-8-5-15-37(41)46-43(51)26-25-36-35-24-22-32(29-44(35)53(47(36)46)45-20-10-11-27-49-45)54-31-21-23-33-34-14-4-7-17-40(34)52-42-19-9-6-16-39(42)50-48(52)38(33)28-31;1-2-10-28(11-3-1)47-37-15-7-6-14-36(37)43-39(47)22-21-35-34-20-18-29(26-40(34)48(44(35)43)42-16-8-9-24-45-42)50-30-17-19-33-31-12-4-5-13-32(31)38-23-25-46-49(38)41(33)27-30;1-2-12-29(13-3-1)45-37-18-7-5-16-35(37)41-38(45)23-22-34-33-21-20-32(26-39(33)46(42(34)41)40-19-8-9-24-43-40)48-31-15-10-14-30(25-31)47-36-17-6-4-11-28(36)27-44-47;;;;;/h2-33,36H,1H3;1-32,50H;1-27H;1-25H;1-24,27H;;;;;/q-3;4*-2;;4*+2.
What are the key properties of CID 160576170?
CID 160576170 has a molecular weight of 3956.20 g/mol, XLogP of 49.40, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160576170 is sourced from PubChem (CID 160576170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).