CID 157089409

C271H185N21O2Pt5S2Si5 — CID 157089409

IUPAC—
SMILESCC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c(cc21)oc1ccccc13.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c(cc21)sc1ccccc13.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3oc4ccccc4c3cc21.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3sc4ccccc4c3cc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C59H41N5Si.2C53H36N4OSi.2C53H36N4SSi.5Pt/c1-59(2)50-32-30-44(37-55(50)64(57-28-16-17-33-60-57)56-38-48-47-25-13-15-27-53(47)63(54(48)39-51(56)59)40-18-6-3-7-19-40)65(41-20-8-4-9-21-41,42-22-10-5-11-23-42)43-29-31-45-46-24-12-14-26-52(46)62-35-34-61-58(62)49(45)36-43;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-33-42-41-20-10-12-22-49(41)58-50(42)34-45(48)53)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-34-50-42(33-45(48)53)41-20-10-12-22-49(41)58-50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-33-42-41-20-10-12-22-49(41)58-50(42)34-45(48)53)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-34-50-42(33-45(48)53)41-20-10-12-22-49(41)58-50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;;;;;/h3-35,38-39H,1-2H3;4*3-30,33-34H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVZMHXVRNNZJJIR-UHFFFAOYSA-N
MW4947.56 g/mol
LogP52.23
Rot. Bonds26

About CID 157089409

CID 157089409 (PubChem CID 157089409) has the molecular formula C271H185N21O2Pt5S2Si5 and a molecular weight of 4947.56 g/mol.

Molecular Properties

Compound NameCID 157089409
PubChem CID157089409
Molecular FormulaC271H185N21O2Pt5S2Si5
Molecular Weight4947.56 g/mol
Exact Mass4943.15
IUPAC Name—
SMILESCC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c(cc21)oc1ccccc13.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c(cc21)sc1ccccc13.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3oc4ccccc4c3cc21.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3sc4ccccc4c3cc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C59H41N5Si.2C53H36N4OSi.2C53H36N4SSi.5Pt/c1-59(2)50-32-30-44(37-55(50)64(57-28-16-17-33-60-57)56-38-48-47-25-13-15-27-53(47)63(54(48)39-51(56)59)40-18-6-3-7-19-40)65(41-20-8-4-9-21-41,42-22-10-5-11-23-42)43-29-31-45-46-24-12-14-26-52(46)62-35-34-61-58(62)49(45)36-43;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-33-42-41-20-10-12-22-49(41)58-50(42)34-45(48)53)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-34-50-42(33-45(48)53)41-20-10-12-22-49(41)58-50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-33-42-41-20-10-12-22-49(41)58-50(42)34-45(48)53)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-34-50-42(33-45(48)53)41-20-10-12-22-49(41)58-50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;;;;;/h3-35,38-39H,1-2H3;4*3-30,33-34H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVZMHXVRNNZJJIR-UHFFFAOYSA-N
XLogP52.23
TPSA198.36 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004947.56
LogP ≤ 552.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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Frequently Asked Questions

What is the IUPAC name of CID 157089409?
The IUPAC name of CID 157089409 (CID 157089409) is not available.
What is the SMILES notation for CID 157089409?
The canonical SMILES for CID 157089409 is CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c(cc21)oc1ccccc13.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c(cc21)sc1ccccc13.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3oc4ccccc4c3cc21.CC1(C)c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ccnc43)(c3ccccc3)c3ccccc3)[c-]c2N(c2ccccn2)c2cc3sc4ccccc4c3cc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157089409?
The InChIKey is VZMHXVRNNZJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N5Si.2C53H36N4OSi.2C53H36N4SSi.5Pt/c1-59(2)50-32-30-44(37-55(50)64(57-28-16-17-33-60-57)56-38-48-47-25-13-15-27-53(47)63(54(48)39-51(56)59)40-18-6-3-7-19-40)65(41-20-8-4-9-21-41,42-22-10-5-11-23-42)43-29-31-45-46-24-12-14-26-52(46)62-35-34-61-58(62)49(45)36-43;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-33-42-41-20-10-12-22-49(41)58-50(42)34-45(48)53)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-34-50-42(33-45(48)53)41-20-10-12-22-49(41)58-50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-33-42-41-20-10-12-22-49(41)58-50(42)34-45(48)53)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-27-25-38(32-47(44)57(51-23-13-14-28-54-51)48-34-50-42(33-45(48)53)41-20-10-12-22-49(41)58-50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;;;;;/h3-35,38-39H,1-2H3;4*3-30,33-34H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 157089409?
CID 157089409 has a molecular weight of 4947.56 g/mol, XLogP of 52.23, 26 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157089409 is sourced from PubChem (CID 157089409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).