CID 157328184

C210H135N24O12Pt6SSi2- — CID 157328184

IUPAC—
SMILESCN1c2ccccc2N(C2=NC3C(c4[c-]cccc4)=COC3O2)c2nc3c(-c4[c-]oc5ccccc45)cccc3cc21.Cc1[c-]n(-c2coc3oc(N(c4ccccc4)c4nc5c6c(ccc5n4C)CCc4ccc[c-]c4-6)nc23)c(C)c1.Cn1c(-c2cccc3oc(N(c4ccccc4)c4ccc5occ(-c6[c-]cc7ccccc7c6)c5n4)nc23)[c-]c2ccccc21.Cn1c[c-]c(-c2csc3cc4c5ccccc5n(-c5nc6c(-c7[c-]cccc7)coc6o5)c4nc23)c1.[H]/[Si]=C(\C1=CC=CCC1)c1coc2ccc(-n3c4ccccc4c4cc5cccc(-c6[c-]cccc6)c5nc43)nc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].c1ccc([Si](c2ccccc2)c2cccc3oc(N4c5ccccc5Oc5cc6cccc(-c7ccccn7)c6nc54)nc23)cc1
InChIInChI=1S/C39H25N4O2Si.C39H24N4O2.C35H22N4O3.C35H23N3OSi.C33H25N5O2.C29H16N4O2S.6Pt/c1-3-14-27(15-4-1)46(28-16-5-2-6-17-28)35-23-12-22-33-37(35)42-39(45-33)43-31-20-7-8-21-32(31)44-34-25-26-13-11-18-29(36(26)41-38(34)43)30-19-9-10-24-40-30;1-42-32-16-8-7-12-28(32)23-33(42)30-15-9-17-35-37(30)41-39(45-35)43(29-13-3-2-4-14-29)36-21-20-34-38(40-36)31(24-44-34)27-19-18-25-10-5-6-11-26(25)22-27;1-38-27-15-6-7-16-28(27)39(35-37-32-25(19-41-34(32)42-35)21-10-3-2-4-11-21)33-29(38)18-22-12-9-14-24(31(22)36-33)26-20-40-30-17-8-5-13-23(26)30;40-34(23-12-5-2-6-13-23)28-21-39-30-18-19-31(36-33(28)30)38-29-17-8-7-15-26(29)27-20-24-14-9-16-25(32(24)37-35(27)38)22-10-3-1-4-11-22;1-20-17-21(2)37(18-20)27-19-39-31-30(27)35-33(40-31)38(24-10-5-4-6-11-24)32-34-29-26(36(32)3)16-15-23-14-13-22-9-7-8-12-25(22)28(23)29;1-32-12-11-18(14-32)22-16-36-24-13-20-19-9-5-6-10-23(19)33(27(20)30-25(22)24)29-31-26-21(15-34-28(26)35-29)17-7-3-2-4-8-17;;;;;;/h1-25H;2-18,20-22,24H,1H3;2-10,12-19,32,34H,1H3;1-5,7-10,12,14-21,40H,6,13H2;4-11,15-17,19H,13-14H2,1-3H3;2-7,9-10,12-16H,1H3;;;;;;/q;2*-2;-1;2*-2;;;4*+2
InChIKeyHMTTZCWROPDSOR-UHFFFAOYSA-N
MW4445.25 g/mol
LogP47.74
Rot. Bonds23

About CID 157328184

CID 157328184 (PubChem CID 157328184) has the molecular formula C210H135N24O12Pt6SSi2- and a molecular weight of 4445.25 g/mol.

Molecular Properties

Compound NameCID 157328184
PubChem CID157328184
Molecular FormulaC210H135N24O12Pt6SSi2-
Molecular Weight4445.25 g/mol
Exact Mass4441.78
IUPAC Name—
SMILESCN1c2ccccc2N(C2=NC3C(c4[c-]cccc4)=COC3O2)c2nc3c(-c4[c-]oc5ccccc45)cccc3cc21.Cc1[c-]n(-c2coc3oc(N(c4ccccc4)c4nc5c6c(ccc5n4C)CCc4ccc[c-]c4-6)nc23)c(C)c1.Cn1c(-c2cccc3oc(N(c4ccccc4)c4ccc5occ(-c6[c-]cc7ccccc7c6)c5n4)nc23)[c-]c2ccccc21.Cn1c[c-]c(-c2csc3cc4c5ccccc5n(-c5nc6c(-c7[c-]cccc7)coc6o5)c4nc23)c1.[H]/[Si]=C(\C1=CC=CCC1)c1coc2ccc(-n3c4ccccc4c4cc5cccc(-c6[c-]cccc6)c5nc43)nc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].c1ccc([Si](c2ccccc2)c2cccc3oc(N4c5ccccc5Oc5cc6cccc(-c7ccccn7)c6nc54)nc23)cc1
InChIInChI=1S/C39H25N4O2Si.C39H24N4O2.C35H22N4O3.C35H23N3OSi.C33H25N5O2.C29H16N4O2S.6Pt/c1-3-14-27(15-4-1)46(28-16-5-2-6-17-28)35-23-12-22-33-37(35)42-39(45-33)43-31-20-7-8-21-32(31)44-34-25-26-13-11-18-29(36(26)41-38(34)43)30-19-9-10-24-40-30;1-42-32-16-8-7-12-28(32)23-33(42)30-15-9-17-35-37(30)41-39(45-35)43(29-13-3-2-4-14-29)36-21-20-34-38(40-36)31(24-44-34)27-19-18-25-10-5-6-11-26(25)22-27;1-38-27-15-6-7-16-28(27)39(35-37-32-25(19-41-34(32)42-35)21-10-3-2-4-11-21)33-29(38)18-22-12-9-14-24(31(22)36-33)26-20-40-30-17-8-5-13-23(26)30;40-34(23-12-5-2-6-13-23)28-21-39-30-18-19-31(36-33(28)30)38-29-17-8-7-15-26(29)27-20-24-14-9-16-25(32(24)37-35(27)38)22-10-3-1-4-11-22;1-20-17-21(2)37(18-20)27-19-39-31-30(27)35-33(40-31)38(24-10-5-4-6-11-24)32-34-29-26(36(32)3)16-15-23-14-13-22-9-7-8-12-25(22)28(23)29;1-32-12-11-18(14-32)22-16-36-24-13-20-19-9-5-6-10-23(19)33(27(20)30-25(22)24)29-31-26-21(15-34-28(26)35-29)17-7-3-2-4-8-17;;;;;;/h1-25H;2-18,20-22,24H,1H3;2-10,12-19,32,34H,1H3;1-5,7-10,12,14-21,40H,6,13H2;4-11,15-17,19H,13-14H2,1-3H3;2-7,9-10,12-16H,1H3;;;;;;/q;2*-2;-1;2*-2;;;4*+2
InChIKeyHMTTZCWROPDSOR-UHFFFAOYSA-N
XLogP47.74
TPSA358.77 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004445.25
LogP ≤ 547.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 157328184?
The IUPAC name of CID 157328184 (CID 157328184) is not available.
What is the SMILES notation for CID 157328184?
The canonical SMILES for CID 157328184 is CN1c2ccccc2N(C2=NC3C(c4[c-]cccc4)=COC3O2)c2nc3c(-c4[c-]oc5ccccc45)cccc3cc21.Cc1[c-]n(-c2coc3oc(N(c4ccccc4)c4nc5c6c(ccc5n4C)CCc4ccc[c-]c4-6)nc23)c(C)c1.Cn1c(-c2cccc3oc(N(c4ccccc4)c4ccc5occ(-c6[c-]cc7ccccc7c6)c5n4)nc23)[c-]c2ccccc21.Cn1c[c-]c(-c2csc3cc4c5ccccc5n(-c5nc6c(-c7[c-]cccc7)coc6o5)c4nc23)c1.[H]/[Si]=C(\C1=CC=CCC1)c1coc2ccc(-n3c4ccccc4c4cc5cccc(-c6[c-]cccc6)c5nc43)nc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].c1ccc([Si](c2ccccc2)c2cccc3oc(N4c5ccccc5Oc5cc6cccc(-c7ccccn7)c6nc54)nc23)cc1.
What is the InChIKey of CID 157328184?
The InChIKey is HMTTZCWROPDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4O2Si.C39H24N4O2.C35H22N4O3.C35H23N3OSi.C33H25N5O2.C29H16N4O2S.6Pt/c1-3-14-27(15-4-1)46(28-16-5-2-6-17-28)35-23-12-22-33-37(35)42-39(45-33)43-31-20-7-8-21-32(31)44-34-25-26-13-11-18-29(36(26)41-38(34)43)30-19-9-10-24-40-30;1-42-32-16-8-7-12-28(32)23-33(42)30-15-9-17-35-37(30)41-39(45-35)43(29-13-3-2-4-14-29)36-21-20-34-38(40-36)31(24-44-34)27-19-18-25-10-5-6-11-26(25)22-27;1-38-27-15-6-7-16-28(27)39(35-37-32-25(19-41-34(32)42-35)21-10-3-2-4-11-21)33-29(38)18-22-12-9-14-24(31(22)36-33)26-20-40-30-17-8-5-13-23(26)30;40-34(23-12-5-2-6-13-23)28-21-39-30-18-19-31(36-33(28)30)38-29-17-8-7-15-26(29)27-20-24-14-9-16-25(32(24)37-35(27)38)22-10-3-1-4-11-22;1-20-17-21(2)37(18-20)27-19-39-31-30(27)35-33(40-31)38(24-10-5-4-6-11-24)32-34-29-26(36(32)3)16-15-23-14-13-22-9-7-8-12-25(22)28(23)29;1-32-12-11-18(14-32)22-16-36-24-13-20-19-9-5-6-10-23(19)33(27(20)30-25(22)24)29-31-26-21(15-34-28(26)35-29)17-7-3-2-4-8-17;;;;;;/h1-25H;2-18,20-22,24H,1H3;2-10,12-19,32,34H,1H3;1-5,7-10,12,14-21,40H,6,13H2;4-11,15-17,19H,13-14H2,1-3H3;2-7,9-10,12-16H,1H3;;;;;;/q;2*-2;-1;2*-2;;;4*+2.
What are the key properties of CID 157328184?
CID 157328184 has a molecular weight of 4445.25 g/mol, XLogP of 47.74, 23 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157328184 is sourced from PubChem (CID 157328184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).