CID 157463470

C206H146F10N16Pt4Si — CID 157463470

IUPAC—
SMILESCC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cccc2)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cccc2)n1.CC1(C)c2[c-]c(ccc2)-c2cc(N(c3ccccc3)c3ccccc3)cc(n2)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)cc(n2)-c2[c-]c1ccc2.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc(C(F)(F)c3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C58H38F4N4Si.C52H42N4.C49H38N4.C47H28F6N4.4Pt/c59-41-31-33-51(53(61)35-41)55-37-47(65(43-19-7-1-8-20-43)44-21-9-2-10-22-44)39-57(63-55)67(49-27-15-5-16-28-49,50-29-17-6-18-30-50)58-40-48(38-56(64-58)52-34-32-42(60)36-54(52)62)66(45-23-11-3-12-24-45)46-25-13-4-14-26-46;1-51(2)39-21-17-19-37(31-39)47-33-45(55(41-23-9-5-10-24-41)42-25-11-6-12-26-42)35-49(53-47)52(3,4)50-36-46(34-48(54-50)38-20-18-22-40(51)32-38)56(43-27-13-7-14-28-43)44-29-15-8-16-30-44;1-49(2,47-35-43(33-45(50-47)37-21-9-3-10-22-37)52(39-25-13-5-14-26-39)40-27-15-6-16-28-40)48-36-44(34-46(51-48)38-23-11-4-12-24-38)53(41-29-17-7-18-30-41)42-31-19-8-20-32-42;48-31-21-23-39(41(50)25-31)43-27-37(56(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-45(54-43)47(52,53)46-30-38(28-44(55-46)40-24-22-32(49)26-42(40)51)57(35-17-9-3-10-18-35)36-19-11-4-12-20-36;;;;/h1-32,35-40H;5-30,33-36H,1-4H3;3-21,23,25-36H,1-2H3;1-22,25-30H;;;;/q4*-2;4*+2
InChIKeyICSIGHICQJDLHD-UHFFFAOYSA-N
MW3843.92 g/mol
LogP51.31
Rot. Bonds38

About CID 157463470

CID 157463470 (PubChem CID 157463470) has the molecular formula C206H146F10N16Pt4Si and a molecular weight of 3843.92 g/mol.

Molecular Properties

Compound NameCID 157463470
PubChem CID157463470
Molecular FormulaC206H146F10N16Pt4Si
Molecular Weight3843.92 g/mol
Exact Mass3841.01
IUPAC Name—
SMILESCC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cccc2)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cccc2)n1.CC1(C)c2[c-]c(ccc2)-c2cc(N(c3ccccc3)c3ccccc3)cc(n2)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)cc(n2)-c2[c-]c1ccc2.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc(C(F)(F)c3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C58H38F4N4Si.C52H42N4.C49H38N4.C47H28F6N4.4Pt/c59-41-31-33-51(53(61)35-41)55-37-47(65(43-19-7-1-8-20-43)44-21-9-2-10-22-44)39-57(63-55)67(49-27-15-5-16-28-49,50-29-17-6-18-30-50)58-40-48(38-56(64-58)52-34-32-42(60)36-54(52)62)66(45-23-11-3-12-24-45)46-25-13-4-14-26-46;1-51(2)39-21-17-19-37(31-39)47-33-45(55(41-23-9-5-10-24-41)42-25-11-6-12-26-42)35-49(53-47)52(3,4)50-36-46(34-48(54-50)38-20-18-22-40(51)32-38)56(43-27-13-7-14-28-43)44-29-15-8-16-30-44;1-49(2,47-35-43(33-45(50-47)37-21-9-3-10-22-37)52(39-25-13-5-14-26-39)40-27-15-6-16-28-40)48-36-44(34-46(51-48)38-23-11-4-12-24-38)53(41-29-17-7-18-30-41)42-31-19-8-20-32-42;48-31-21-23-39(41(50)25-31)43-27-37(56(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-45(54-43)47(52,53)46-30-38(28-44(55-46)40-24-22-32(49)26-42(40)51)57(35-17-9-3-10-18-35)36-19-11-4-12-20-36;;;;/h1-32,35-40H;5-30,33-36H,1-4H3;3-21,23,25-36H,1-2H3;1-22,25-30H;;;;/q4*-2;4*+2
InChIKeyICSIGHICQJDLHD-UHFFFAOYSA-N
XLogP51.31
TPSA129.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003843.92
LogP ≤ 551.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157463470?
The IUPAC name of CID 157463470 (CID 157463470) is not available.
What is the SMILES notation for CID 157463470?
The canonical SMILES for CID 157463470 is CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cccc2)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cccc2)n1.CC1(C)c2[c-]c(ccc2)-c2cc(N(c3ccccc3)c3ccccc3)cc(n2)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)cc(n2)-c2[c-]c1ccc2.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc(C(F)(F)c3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157463470?
The InChIKey is ICSIGHICQJDLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38F4N4Si.C52H42N4.C49H38N4.C47H28F6N4.4Pt/c59-41-31-33-51(53(61)35-41)55-37-47(65(43-19-7-1-8-20-43)44-21-9-2-10-22-44)39-57(63-55)67(49-27-15-5-16-28-49,50-29-17-6-18-30-50)58-40-48(38-56(64-58)52-34-32-42(60)36-54(52)62)66(45-23-11-3-12-24-45)46-25-13-4-14-26-46;1-51(2)39-21-17-19-37(31-39)47-33-45(55(41-23-9-5-10-24-41)42-25-11-6-12-26-42)35-49(53-47)52(3,4)50-36-46(34-48(54-50)38-20-18-22-40(51)32-38)56(43-27-13-7-14-28-43)44-29-15-8-16-30-44;1-49(2,47-35-43(33-45(50-47)37-21-9-3-10-22-37)52(39-25-13-5-14-26-39)40-27-15-6-16-28-40)48-36-44(34-46(51-48)38-23-11-4-12-24-38)53(41-29-17-7-18-30-41)42-31-19-8-20-32-42;48-31-21-23-39(41(50)25-31)43-27-37(56(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-45(54-43)47(52,53)46-30-38(28-44(55-46)40-24-22-32(49)26-42(40)51)57(35-17-9-3-10-18-35)36-19-11-4-12-20-36;;;;/h1-32,35-40H;5-30,33-36H,1-4H3;3-21,23,25-36H,1-2H3;1-22,25-30H;;;;/q4*-2;4*+2.
What are the key properties of CID 157463470?
CID 157463470 has a molecular weight of 3843.92 g/mol, XLogP of 51.31, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157463470 is sourced from PubChem (CID 157463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).