CID 160908734

C188H171F32N13O3Pt5 — CID 160908734

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.CC1(C)c2cccc(n2)Oc2[c-]c(c(F)c(C(F)(F)F)c2F)Oc2cccc(n2)Oc2[c-]c1c(F)c(C(F)(F)F)c2F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C43H29F10N3.C42H52N2.C40H48F2N4.C36H30F10N2.C27H12F10N2O3.5Pt/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;1-25(2)11-9-12(22(29)19(21(11)28)26(32,33)34)40-17-7-4-8-18(39-17)42-14-10-13(41-16-6-3-5-15(25)38-16)23(30)20(24(14)31)27(35,36)37;;;;;/h5-20,33H,1-4H3;15-24H,1-14H3;15-16,19-22H,1-14H3;9-14H,1-8H3;3-8H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVYMYDLTYAUIFHX-UHFFFAOYSA-N
MW4243.85 g/mol
LogP50.90
Rot. Bonds2

About CID 160908734

CID 160908734 (PubChem CID 160908734) has the molecular formula C188H171F32N13O3Pt5 and a molecular weight of 4243.85 g/mol.

Molecular Properties

Compound NameCID 160908734
PubChem CID160908734
Molecular FormulaC188H171F32N13O3Pt5
Molecular Weight4243.85 g/mol
Exact Mass4241.14
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.CC1(C)c2cccc(n2)Oc2[c-]c(c(F)c(C(F)(F)F)c2F)Oc2cccc(n2)Oc2[c-]c1c(F)c(C(F)(F)F)c2F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C43H29F10N3.C42H52N2.C40H48F2N4.C36H30F10N2.C27H12F10N2O3.5Pt/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;1-25(2)11-9-12(22(29)19(21(11)28)26(32,33)34)40-17-7-4-8-18(39-17)42-14-10-13(41-16-6-3-5-15(25)38-16)23(30)20(24(14)31)27(35,36)37;;;;;/h5-20,33H,1-4H3;15-24H,1-14H3;15-16,19-22H,1-14H3;9-14H,1-8H3;3-8H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVYMYDLTYAUIFHX-UHFFFAOYSA-N
XLogP50.90
TPSA185.61 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds2
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004243.85
LogP ≤ 550.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of CID 160908734?
The IUPAC name of CID 160908734 (CID 160908734) is not available.
What is the SMILES notation for CID 160908734?
The canonical SMILES for CID 160908734 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.CC1(C)c2cccc(n2)Oc2[c-]c(c(F)c(C(F)(F)F)c2F)Oc2cccc(n2)Oc2[c-]c1c(F)c(C(F)(F)F)c2F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 160908734?
The InChIKey is VYMYDLTYAUIFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29F10N3.C42H52N2.C40H48F2N4.C36H30F10N2.C27H12F10N2O3.5Pt/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;1-25(2)11-9-12(22(29)19(21(11)28)26(32,33)34)40-17-7-4-8-18(39-17)42-14-10-13(41-16-6-3-5-15(25)38-16)23(30)20(24(14)31)27(35,36)37;;;;;/h5-20,33H,1-4H3;15-24H,1-14H3;15-16,19-22H,1-14H3;9-14H,1-8H3;3-8H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 160908734?
CID 160908734 has a molecular weight of 4243.85 g/mol, XLogP of 50.90, 2 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160908734 is sourced from PubChem (CID 160908734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).