CID 159247422

C380H240F20N60Pt16 — CID 159247422

IUPAC—
SMILESCC(C)(C)c1n[c-]n(-c2cccc(C(c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)(c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C2(c3cccc(n3)-c3[c-]c1ccc3)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1[c-]c(ccc1)-c1cccc2n1.FC(F)(F)c1c[c-]n(-c2cccc(C(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)c3cccc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1C(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2ccccn2)ccc1.[c-]1c(-n2cccn2)cccc1C(c1[c-]c(-n2cccn2)ccc1)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.[c-]1c2cccc1C(c1ccccc1)(c1ccccc1)c1[c-]c(ccc1)-c1cccc(n1)C1(c3cccc-2n3)c2cccc(n2)-c2[c-]c(ccc2)C(c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-c2cccc1n2.[c-]1ccccc1-c1cccc(C(c2[c-]c(-c3ccccn3)ccc2)(c2[c-]c(-c3ccccn3)ccc2)c2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C71H44N4.C51H36N4.C49H16F8N8.C45H48N16.2C45H28N4.C37H16F12N12.C37H24N8.16Pt/c1-5-25-53(26-6-1)69(54-27-7-2-8-28-54)57-33-13-21-49(45-57)61-37-17-41-65(72-61)71(66-42-18-38-62(73-66)50-22-14-34-58(69)46-50)67-43-19-39-63(74-67)51-23-15-35-59(47-51)70(55-29-9-3-10-30-55,56-31-11-4-12-32-56)60-36-16-24-52(48-60)64-40-20-44-68(71)75-64;1-49(2)37-17-5-13-33(29-37)41-21-9-25-45(52-41)51(46-26-10-22-42(53-46)34-14-6-18-38(49)30-34)47-27-11-23-43(54-47)35-15-7-19-39(31-35)50(3,4)40-20-8-16-36(32-40)44-24-12-28-48(51)55-44;1-60-47-33(52)21-17-27(45(47)56)37-9-5-13-41(64-37)49(39-11-3-7-35(62-39)25-15-19-31(50)29(23-58)43(25)54,40-12-4-8-36(63-40)26-16-20-32(51)30(24-59)44(26)55)42-14-6-10-38(65-42)28-18-22-34(53)48(61-2)46(28)57;1-41(2,3)37-46-25-58(54-37)33-21-13-17-29(50-33)45(30-18-14-22-34(51-30)59-26-47-38(55-59)42(4,5)6,31-19-15-23-35(52-31)60-27-48-39(56-60)43(7,8)9)32-20-16-24-36(53-32)61-28-49-40(57-61)44(10,11)12;1-5-25-46-41(21-1)33-13-9-17-37(29-33)45(38-18-10-14-34(30-38)42-22-2-6-26-47-42,39-19-11-15-35(31-39)43-23-3-7-27-48-43)40-20-12-16-36(32-40)44-24-4-8-28-49-44;1-3-15-33(16-4-1)41-25-13-27-43(48-41)45(37-21-11-19-35(31-37)39-23-7-9-29-46-39,38-22-12-20-36(32-38)40-24-8-10-30-47-40)44-28-14-26-42(49-44)34-17-5-2-6-18-34;38-34(39,40)25-13-17-58(54-25)29-9-1-5-21(50-29)33(22-6-2-10-30(51-22)59-18-14-26(55-59)35(41,42)43,23-7-3-11-31(52-23)60-19-15-27(56-60)36(44,45)46)24-8-4-12-32(53-24)61-20-16-28(57-61)37(47,48)49;1-9-29(25-33(13-1)42-21-5-17-38-42)37(30-10-2-14-34(26-30)43-22-6-18-39-43,31-11-3-15-35(27-31)44-23-7-19-40-44)32-12-4-16-36(28-32)45-24-8-20-41-45;;;;;;;;;;;;;;;;/h1-44H;5-28H,1-4H3;3-14,19-22H;13-24H,1-12H3;1-28H;1-15,17,19-30H;1-16H;1-24H;;;;;;;;;;;;;;;;/q8*-4;16*+2
InChIKeyZDVGZZUXXMKOBU-UHFFFAOYSA-N
MW9147.73 g/mol
LogP76.22
Rot. Bonds52

About CID 159247422

CID 159247422 (PubChem CID 159247422) has the molecular formula C380H240F20N60Pt16 and a molecular weight of 9147.73 g/mol.

Molecular Properties

Compound NameCID 159247422
PubChem CID159247422
Molecular FormulaC380H240F20N60Pt16
Molecular Weight9147.73 g/mol
Exact Mass9141.47
IUPAC Name—
SMILESCC(C)(C)c1n[c-]n(-c2cccc(C(c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)(c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C2(c3cccc(n3)-c3[c-]c1ccc3)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1[c-]c(ccc1)-c1cccc2n1.FC(F)(F)c1c[c-]n(-c2cccc(C(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)c3cccc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1C(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2ccccn2)ccc1.[c-]1c(-n2cccn2)cccc1C(c1[c-]c(-n2cccn2)ccc1)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.[c-]1c2cccc1C(c1ccccc1)(c1ccccc1)c1[c-]c(ccc1)-c1cccc(n1)C1(c3cccc-2n3)c2cccc(n2)-c2[c-]c(ccc2)C(c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-c2cccc1n2.[c-]1ccccc1-c1cccc(C(c2[c-]c(-c3ccccn3)ccc2)(c2[c-]c(-c3ccccn3)ccc2)c2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C71H44N4.C51H36N4.C49H16F8N8.C45H48N16.2C45H28N4.C37H16F12N12.C37H24N8.16Pt/c1-5-25-53(26-6-1)69(54-27-7-2-8-28-54)57-33-13-21-49(45-57)61-37-17-41-65(72-61)71(66-42-18-38-62(73-66)50-22-14-34-58(69)46-50)67-43-19-39-63(74-67)51-23-15-35-59(47-51)70(55-29-9-3-10-30-55,56-31-11-4-12-32-56)60-36-16-24-52(48-60)64-40-20-44-68(71)75-64;1-49(2)37-17-5-13-33(29-37)41-21-9-25-45(52-41)51(46-26-10-22-42(53-46)34-14-6-18-38(49)30-34)47-27-11-23-43(54-47)35-15-7-19-39(31-35)50(3,4)40-20-8-16-36(32-40)44-24-12-28-48(51)55-44;1-60-47-33(52)21-17-27(45(47)56)37-9-5-13-41(64-37)49(39-11-3-7-35(62-39)25-15-19-31(50)29(23-58)43(25)54,40-12-4-8-36(63-40)26-16-20-32(51)30(24-59)44(26)55)42-14-6-10-38(65-42)28-18-22-34(53)48(61-2)46(28)57;1-41(2,3)37-46-25-58(54-37)33-21-13-17-29(50-33)45(30-18-14-22-34(51-30)59-26-47-38(55-59)42(4,5)6,31-19-15-23-35(52-31)60-27-48-39(56-60)43(7,8)9)32-20-16-24-36(53-32)61-28-49-40(57-61)44(10,11)12;1-5-25-46-41(21-1)33-13-9-17-37(29-33)45(38-18-10-14-34(30-38)42-22-2-6-26-47-42,39-19-11-15-35(31-39)43-23-3-7-27-48-43)40-20-12-16-36(32-40)44-24-4-8-28-49-44;1-3-15-33(16-4-1)41-25-13-27-43(48-41)45(37-21-11-19-35(31-37)39-23-7-9-29-46-39,38-22-12-20-36(32-38)40-24-8-10-30-47-40)44-28-14-26-42(49-44)34-17-5-2-6-18-34;38-34(39,40)25-13-17-58(54-25)29-9-1-5-21(50-29)33(22-6-2-10-30(51-22)59-18-14-26(55-59)35(41,42)43,23-7-3-11-31(52-23)60-19-15-27(56-60)36(44,45)46)24-8-4-12-32(53-24)61-20-16-28(57-61)37(47,48)49;1-9-29(25-33(13-1)42-21-5-17-38-42)37(30-10-2-14-34(26-30)43-22-6-18-39-43,31-11-3-15-35(27-31)44-23-7-19-40-44)32-12-4-16-36(28-32)45-24-8-20-41-45;;;;;;;;;;;;;;;;/h1-44H;5-28H,1-4H3;3-14,19-22H;13-24H,1-12H3;1-28H;1-15,17,19-30H;1-16H;1-24H;;;;;;;;;;;;;;;;/q8*-4;16*+2
InChIKeyZDVGZZUXXMKOBU-UHFFFAOYSA-N
XLogP76.22
TPSA682.62 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds52
Heavy Atoms476
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5009147.73
LogP ≤ 576.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

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Frequently Asked Questions

What is the IUPAC name of CID 159247422?
The IUPAC name of CID 159247422 (CID 159247422) is not available.
What is the SMILES notation for CID 159247422?
The canonical SMILES for CID 159247422 is CC(C)(C)c1n[c-]n(-c2cccc(C(c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)(c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C2(c3cccc(n3)-c3[c-]c1ccc3)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1[c-]c(ccc1)-c1cccc2n1.FC(F)(F)c1c[c-]n(-c2cccc(C(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)(c3cccc(-c4[c-]cc(F)c(C#N)c4F)n3)c3cccc(-c4[c-]cc(F)c([N+]#[C-])c4F)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1C(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2ccccn2)ccc1.[c-]1c(-n2cccn2)cccc1C(c1[c-]c(-n2cccn2)ccc1)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.[c-]1c2cccc1C(c1ccccc1)(c1ccccc1)c1[c-]c(ccc1)-c1cccc(n1)C1(c3cccc-2n3)c2cccc(n2)-c2[c-]c(ccc2)C(c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-c2cccc1n2.[c-]1ccccc1-c1cccc(C(c2[c-]c(-c3ccccn3)ccc2)(c2[c-]c(-c3ccccn3)ccc2)c2cccc(-c3[c-]cccc3)n2)n1.
What is the InChIKey of CID 159247422?
The InChIKey is ZDVGZZUXXMKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N4.C51H36N4.C49H16F8N8.C45H48N16.2C45H28N4.C37H16F12N12.C37H24N8.16Pt/c1-5-25-53(26-6-1)69(54-27-7-2-8-28-54)57-33-13-21-49(45-57)61-37-17-41-65(72-61)71(66-42-18-38-62(73-66)50-22-14-34-58(69)46-50)67-43-19-39-63(74-67)51-23-15-35-59(47-51)70(55-29-9-3-10-30-55,56-31-11-4-12-32-56)60-36-16-24-52(48-60)64-40-20-44-68(71)75-64;1-49(2)37-17-5-13-33(29-37)41-21-9-25-45(52-41)51(46-26-10-22-42(53-46)34-14-6-18-38(49)30-34)47-27-11-23-43(54-47)35-15-7-19-39(31-35)50(3,4)40-20-8-16-36(32-40)44-24-12-28-48(51)55-44;1-60-47-33(52)21-17-27(45(47)56)37-9-5-13-41(64-37)49(39-11-3-7-35(62-39)25-15-19-31(50)29(23-58)43(25)54,40-12-4-8-36(63-40)26-16-20-32(51)30(24-59)44(26)55)42-14-6-10-38(65-42)28-18-22-34(53)48(61-2)46(28)57;1-41(2,3)37-46-25-58(54-37)33-21-13-17-29(50-33)45(30-18-14-22-34(51-30)59-26-47-38(55-59)42(4,5)6,31-19-15-23-35(52-31)60-27-48-39(56-60)43(7,8)9)32-20-16-24-36(53-32)61-28-49-40(57-61)44(10,11)12;1-5-25-46-41(21-1)33-13-9-17-37(29-33)45(38-18-10-14-34(30-38)42-22-2-6-26-47-42,39-19-11-15-35(31-39)43-23-3-7-27-48-43)40-20-12-16-36(32-40)44-24-4-8-28-49-44;1-3-15-33(16-4-1)41-25-13-27-43(48-41)45(37-21-11-19-35(31-37)39-23-7-9-29-46-39,38-22-12-20-36(32-38)40-24-8-10-30-47-40)44-28-14-26-42(49-44)34-17-5-2-6-18-34;38-34(39,40)25-13-17-58(54-25)29-9-1-5-21(50-29)33(22-6-2-10-30(51-22)59-18-14-26(55-59)35(41,42)43,23-7-3-11-31(52-23)60-19-15-27(56-60)36(44,45)46)24-8-4-12-32(53-24)61-20-16-28(57-61)37(47,48)49;1-9-29(25-33(13-1)42-21-5-17-38-42)37(30-10-2-14-34(26-30)43-22-6-18-39-43,31-11-3-15-35(27-31)44-23-7-19-40-44)32-12-4-16-36(28-32)45-24-8-20-41-45;;;;;;;;;;;;;;;;/h1-44H;5-28H,1-4H3;3-14,19-22H;13-24H,1-12H3;1-28H;1-15,17,19-30H;1-16H;1-24H;;;;;;;;;;;;;;;;/q8*-4;16*+2.
What are the key properties of CID 159247422?
CID 159247422 has a molecular weight of 9147.73 g/mol, XLogP of 76.22, 52 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159247422 is sourced from PubChem (CID 159247422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).