CID 162140253

C236H150N16O7Pd5S2Si5 — CID 162140253

IUPAC—
SMILES[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(c2N3c2ccccn2)c2ccccc2n4-c2ccccc2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(oc5ccccc54)c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(sc5ccccc54)c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4oc5ccccc5c4c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2N3c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C52H34N4OSi.2C46H29N3O2Si.2C46H29N3OSSi.5Pd/c1-4-18-38(19-5-1)55-45-27-11-10-25-43(45)51-46(55)30-32-49-52(51)56(50-28-13-15-34-54-50)47-36-40(57-39-20-16-17-37(35-39)44-26-12-14-33-53-44)29-31-48(47)58(49,41-21-6-2-7-22-41)42-23-8-3-9-24-42;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)39-21-9-11-28-47-39)31-40(42)49(44-23-10-12-29-48-44)45-43(52)27-25-38-37-20-7-8-22-41(37)51-46(38)45;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)38-21-9-11-28-47-38)31-39(42)49(44-23-10-12-29-48-44)46-43(52)27-25-41-45(46)37-20-7-8-22-40(37)51-41;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)39-21-9-11-28-47-39)31-40(42)49(44-23-10-12-29-48-44)45-43(52)27-25-38-37-20-7-8-22-41(37)51-46(38)45;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)38-21-9-11-28-47-38)31-39(42)49(44-23-10-12-29-48-44)46-43(52)27-25-41-45(46)37-20-7-8-22-40(37)51-41;;;;;/h1-34H;4*1-29H;;;;;/q5*-2;5*+2
InChIKeyAVDBKYXRYHCBPI-UHFFFAOYSA-N
MW4058.56 g/mol
LogP45.10
Rot. Bonds31

About CID 162140253

CID 162140253 (PubChem CID 162140253) has the molecular formula C236H150N16O7Pd5S2Si5 and a molecular weight of 4058.56 g/mol.

Molecular Properties

Compound NameCID 162140253
PubChem CID162140253
Molecular FormulaC236H150N16O7Pd5S2Si5
Molecular Weight4058.56 g/mol
Exact Mass4052.53
IUPAC Name—
SMILES[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(c2N3c2ccccn2)c2ccccc2n4-c2ccccc2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(oc5ccccc54)c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(sc5ccccc54)c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4oc5ccccc5c4c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2N3c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C52H34N4OSi.2C46H29N3O2Si.2C46H29N3OSSi.5Pd/c1-4-18-38(19-5-1)55-45-27-11-10-25-43(45)51-46(55)30-32-49-52(51)56(50-28-13-15-34-54-50)47-36-40(57-39-20-16-17-37(35-39)44-26-12-14-33-53-44)29-31-48(47)58(49,41-21-6-2-7-22-41)42-23-8-3-9-24-42;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)39-21-9-11-28-47-39)31-40(42)49(44-23-10-12-29-48-44)45-43(52)27-25-38-37-20-7-8-22-41(37)51-46(38)45;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)38-21-9-11-28-47-38)31-39(42)49(44-23-10-12-29-48-44)46-43(52)27-25-41-45(46)37-20-7-8-22-40(37)51-41;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)39-21-9-11-28-47-39)31-40(42)49(44-23-10-12-29-48-44)45-43(52)27-25-38-37-20-7-8-22-41(37)51-46(38)45;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)38-21-9-11-28-47-38)31-39(42)49(44-23-10-12-29-48-44)46-43(52)27-25-41-45(46)37-20-7-8-22-40(37)51-41;;;;;/h1-34H;4*1-29H;;;;;/q5*-2;5*+2
InChIKeyAVDBKYXRYHCBPI-UHFFFAOYSA-N
XLogP45.10
TPSA222.46 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004058.56
LogP ≤ 545.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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Related Compounds

CID 157170281
CID 157170281
14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+));3,14,14-triphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3,19,21-triaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;9,14,14-triphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9,19,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 163652566
2-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-5,5-dimethyl-13-pyridin-2-yl-1H-[1]benzofuro[3,2-c]acridin-1-ide;11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-8,8-dimethyl-13-pyridin-2-yl-12H-[1]benzofuro[2,3-c]acridin-12-ide;2-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-5,5-dimethyl-13-pyridin-2-yl-1H-[1]benzothiolo[3,2-c]acridin-1-ide;11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-8,8-dimethyl-13-pyridin-2-yl-12H-[1]benzothiolo[2,3-c]acridin-12-ide;2-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-5,5,12-triphenyl-13-pyridin-2-yl-1H-[1,4]benzazasilino[2,3-a]carbazol-1-ide;pentakis(platinum(2+))
CID 159606859
5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
CID 163798240
21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-3-thia-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-3,14,14-triphenyl-3,19,21-triaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-9,14,14-triphenyl-9,19,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
CID 163432012
14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-9-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-3-thia-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-9-thia-14,16-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,14,16-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
CID 159023276
CID 161039446
CID 161039446
10-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;10-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;10-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;10-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;pentakis(palladium(2+))
CID 159773842
13,13-dimethyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1]benzofuro[2,3-a]acridin-4-ide;13,13-dimethyl-8-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9H-[1]benzofuro[3,2-a]acridin-9-ide;13,13-dimethyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1]benzothiolo[2,3-a]acridin-4-ide;13,13-dimethyl-8-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9H-[1]benzothiolo[3,2-a]acridin-9-ide;tetrakis(palladium)
CID 163922416
CID 163510232
CID 163510232
CID 160577640
CID 160577640
CID 162461474
CID 162461474

Frequently Asked Questions

What is the IUPAC name of CID 162140253?
The IUPAC name of CID 162140253 (CID 162140253) is not available.
What is the SMILES notation for CID 162140253?
The canonical SMILES for CID 162140253 is [Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(c2N3c2ccccn2)c2ccccc2n4-c2ccccc2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(oc5ccccc54)c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4c(sc5ccccc54)c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4oc5ccccc5c4c2N3c2ccccn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)[Si](c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2N3c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of CID 162140253?
The InChIKey is AVDBKYXRYHCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4OSi.2C46H29N3O2Si.2C46H29N3OSSi.5Pd/c1-4-18-38(19-5-1)55-45-27-11-10-25-43(45)51-46(55)30-32-49-52(51)56(50-28-13-15-34-54-50)47-36-40(57-39-20-16-17-37(35-39)44-26-12-14-33-53-44)29-31-48(47)58(49,41-21-6-2-7-22-41)42-23-8-3-9-24-42;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)39-21-9-11-28-47-39)31-40(42)49(44-23-10-12-29-48-44)45-43(52)27-25-38-37-20-7-8-22-41(37)51-46(38)45;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)38-21-9-11-28-47-38)31-39(42)49(44-23-10-12-29-48-44)46-43(52)27-25-41-45(46)37-20-7-8-22-40(37)51-41;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)39-21-9-11-28-47-39)31-40(42)49(44-23-10-12-29-48-44)45-43(52)27-25-38-37-20-7-8-22-41(37)51-46(38)45;1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)42-26-24-34(50-33-15-13-14-32(30-33)38-21-9-11-28-47-38)31-39(42)49(44-23-10-12-29-48-44)46-43(52)27-25-41-45(46)37-20-7-8-22-40(37)51-41;;;;;/h1-34H;4*1-29H;;;;;/q5*-2;5*+2.
What are the key properties of CID 162140253?
CID 162140253 has a molecular weight of 4058.56 g/mol, XLogP of 45.10, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162140253 is sourced from PubChem (CID 162140253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).