CID 159602434

C185H165F32N13O4Pt5 — CID 159602434

IUPAC—
SMILESCC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)C(C)(C)c1[c-]c(cc(C(C)(C)C)c1)C(C)(C)c1cccc(n1)C2(C)C.CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cncc(n1)C(C)(C)c1[c-]c(c(F)c(C(C)(C)C)c1F)C(C)(C)c1cncc(n1)C2(C)C.CC1(C)c2cccc(n2)C(C)(C)c2[c-]c(c(F)c(C(F)(F)F)c2F)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c1c(F)c(C(F)(F)F)c2F.CC1(C)c2cccc(n2)N(c2ccccc2)c2[c-]c(c(F)c(C(F)(F)F)c2F)C(C)(C)c2cccc(n2)C(c2ccccc2)c2[c-]c1c(F)c(C(F)(F)F)c2F.Fc1c2[c-]c(c(F)c1C(F)(F)F)Oc1cccc(n1)Oc1[c-]c(c(F)c(C(F)(F)F)c1F)Oc1cccc(n1)O2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C43H29F10N3.C42H52N2.C40H48F2N4.C36H30F10N2.C24H6F10N2O4.5Pt/c1-40(2)26-21-25(36(44)34(37(26)45)42(48,49)50)33(23-13-7-5-8-14-23)28-17-11-18-30(54-28)41(3,4)27-22-29(39(47)35(38(27)46)43(51,52)53)56(24-15-9-6-10-16-24)32-20-12-19-31(40)55-32;1-37(2,3)27-21-29-25-30(22-27)40(9,10)34-18-16-20-36(44-34)42(13,14)32-24-28(38(4,5)6)23-31(26-32)41(11,12)35-19-15-17-33(43-35)39(29,7)8;1-35(2,3)23-15-24-17-25(16-23)38(9,10)29-20-44-22-31(46-29)40(13,14)27-18-26(33(41)32(34(27)42)36(4,5)6)39(11,12)30-21-43-19-28(45-30)37(24,7)8;1-31(2)17-15-18(28(38)25(27(17)37)35(41,42)43)32(3,4)23-13-10-14-24(48-23)34(7,8)20-16-19(29(39)26(30(20)40)36(44,45)46)33(5,6)22-12-9-11-21(31)47-22;25-19-9-7-11(21(27)17(19)23(29,30)31)39-15-5-2-6-16(36-15)40-12-8-10(20(26)18(22(12)28)24(32,33)34)38-14-4-1-3-13(35-14)37-9;;;;;/h5-20,33H,1-4H3;15-24H,1-14H3;15-16,19-22H,1-14H3;9-14H,1-8H3;1-6H;;;;;/q5*-2;5*+2
InChIKeyVMIAZVIBPLGFBO-UHFFFAOYSA-N
MW4217.77 g/mol
LogP50.36
Rot. Bonds2

About CID 159602434

CID 159602434 (PubChem CID 159602434) has the molecular formula C185H165F32N13O4Pt5 and a molecular weight of 4217.77 g/mol.

Molecular Properties

Compound NameCID 159602434
PubChem CID159602434
Molecular FormulaC185H165F32N13O4Pt5
Molecular Weight4217.77 g/mol
Exact Mass4215.08
IUPAC Name—
SMILESCC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)C(C)(C)c1[c-]c(cc(C(C)(C)C)c1)C(C)(C)c1cccc(n1)C2(C)C.CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cncc(n1)C(C)(C)c1[c-]c(c(F)c(C(C)(C)C)c1F)C(C)(C)c1cncc(n1)C2(C)C.CC1(C)c2cccc(n2)C(C)(C)c2[c-]c(c(F)c(C(F)(F)F)c2F)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c1c(F)c(C(F)(F)F)c2F.CC1(C)c2cccc(n2)N(c2ccccc2)c2[c-]c(c(F)c(C(F)(F)F)c2F)C(C)(C)c2cccc(n2)C(c2ccccc2)c2[c-]c1c(F)c(C(F)(F)F)c2F.Fc1c2[c-]c(c(F)c1C(F)(F)F)Oc1cccc(n1)Oc1[c-]c(c(F)c(C(F)(F)F)c1F)Oc1cccc(n1)O2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C43H29F10N3.C42H52N2.C40H48F2N4.C36H30F10N2.C24H6F10N2O4.5Pt/c1-40(2)26-21-25(36(44)34(37(26)45)42(48,49)50)33(23-13-7-5-8-14-23)28-17-11-18-30(54-28)41(3,4)27-22-29(39(47)35(38(27)46)43(51,52)53)56(24-15-9-6-10-16-24)32-20-12-19-31(40)55-32;1-37(2,3)27-21-29-25-30(22-27)40(9,10)34-18-16-20-36(44-34)42(13,14)32-24-28(38(4,5)6)23-31(26-32)41(11,12)35-19-15-17-33(43-35)39(29,7)8;1-35(2,3)23-15-24-17-25(16-23)38(9,10)29-20-44-22-31(46-29)40(13,14)27-18-26(33(41)32(34(27)42)36(4,5)6)39(11,12)30-21-43-19-28(45-30)37(24,7)8;1-31(2)17-15-18(28(38)25(27(17)37)35(41,42)43)32(3,4)23-13-10-14-24(48-23)34(7,8)20-16-19(29(39)26(30(20)40)36(44,45)46)33(5,6)22-12-9-11-21(31)47-22;25-19-9-7-11(21(27)17(19)23(29,30)31)39-15-5-2-6-16(36-15)40-12-8-10(20(26)18(22(12)28)24(32,33)34)38-14-4-1-3-13(35-14)37-9;;;;;/h5-20,33H,1-4H3;15-24H,1-14H3;15-16,19-22H,1-14H3;9-14H,1-8H3;1-6H;;;;;/q5*-2;5*+2
InChIKeyVMIAZVIBPLGFBO-UHFFFAOYSA-N
XLogP50.36
TPSA194.84 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds2
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004217.77
LogP ≤ 550.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze CID 159602434 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 159602434?
The IUPAC name of CID 159602434 (CID 159602434) is not available.
What is the SMILES notation for CID 159602434?
The canonical SMILES for CID 159602434 is CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)C(C)(C)c1[c-]c(cc(C(C)(C)C)c1)C(C)(C)c1cccc(n1)C2(C)C.CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cncc(n1)C(C)(C)c1[c-]c(c(F)c(C(C)(C)C)c1F)C(C)(C)c1cncc(n1)C2(C)C.CC1(C)c2cccc(n2)C(C)(C)c2[c-]c(c(F)c(C(F)(F)F)c2F)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c1c(F)c(C(F)(F)F)c2F.CC1(C)c2cccc(n2)N(c2ccccc2)c2[c-]c(c(F)c(C(F)(F)F)c2F)C(C)(C)c2cccc(n2)C(c2ccccc2)c2[c-]c1c(F)c(C(F)(F)F)c2F.Fc1c2[c-]c(c(F)c1C(F)(F)F)Oc1cccc(n1)Oc1[c-]c(c(F)c(C(F)(F)F)c1F)Oc1cccc(n1)O2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 159602434?
The InChIKey is VMIAZVIBPLGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29F10N3.C42H52N2.C40H48F2N4.C36H30F10N2.C24H6F10N2O4.5Pt/c1-40(2)26-21-25(36(44)34(37(26)45)42(48,49)50)33(23-13-7-5-8-14-23)28-17-11-18-30(54-28)41(3,4)27-22-29(39(47)35(38(27)46)43(51,52)53)56(24-15-9-6-10-16-24)32-20-12-19-31(40)55-32;1-37(2,3)27-21-29-25-30(22-27)40(9,10)34-18-16-20-36(44-34)42(13,14)32-24-28(38(4,5)6)23-31(26-32)41(11,12)35-19-15-17-33(43-35)39(29,7)8;1-35(2,3)23-15-24-17-25(16-23)38(9,10)29-20-44-22-31(46-29)40(13,14)27-18-26(33(41)32(34(27)42)36(4,5)6)39(11,12)30-21-43-19-28(45-30)37(24,7)8;1-31(2)17-15-18(28(38)25(27(17)37)35(41,42)43)32(3,4)23-13-10-14-24(48-23)34(7,8)20-16-19(29(39)26(30(20)40)36(44,45)46)33(5,6)22-12-9-11-21(31)47-22;25-19-9-7-11(21(27)17(19)23(29,30)31)39-15-5-2-6-16(36-15)40-12-8-10(20(26)18(22(12)28)24(32,33)34)38-14-4-1-3-13(35-14)37-9;;;;;/h5-20,33H,1-4H3;15-24H,1-14H3;15-16,19-22H,1-14H3;9-14H,1-8H3;1-6H;;;;;/q5*-2;5*+2.
What are the key properties of CID 159602434?
CID 159602434 has a molecular weight of 4217.77 g/mol, XLogP of 50.36, 2 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159602434 is sourced from PubChem (CID 159602434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).