CID 157429386

C334H266F12N18Pt6 — CID 157429386

IUPAC—
SMILESCC(C)(C)c1cc2[c-]c(c1)-c1cc(C(C)(C)C)cc3c1[n-]c1c(cc(C(C)(C)C)cc13)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc-2n1.CC(C)(C)c1cc2[c-]c(c1)-c1cc(C(C)(C)C)cc3c1[n-]c1c(cc(C(C)(C)C)cc13)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc-2cc(-c2ccccc2)c1F.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1[c-]c-2cc(-c2ccccc2)c1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(C(F)(F)F)c(n1)-c1nc(cc(-c3ccccc3)c1C(F)(F)F)-c1[c-]c-2ccc1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc(cc(-c3ccccc3)c1F)-c1[c-]c-2cc(-c2ccccc2)c1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc(cc(-c3ccccc3)c1F)-c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C66H51N3.C64H55N3.C54H41F2N3.C52H45F2N3.C50H37F6N3.C48H37F2N3.6Pt/c1-65(2,3)53-37-55-51-30-48(43-20-14-9-15-21-43)31-52(32-51)59-33-49(46-26-22-44(23-27-46)41-16-10-7-11-17-41)35-61(67-59)62-36-50(47-28-24-45(25-29-47)42-18-12-8-13-19-42)34-60(68-62)58-40-54(66(4,5)6)39-57-56(38-53)63(55)69-64(57)58;1-62(2,3)49-29-47-28-48(30-49)56-31-45(43-24-20-41(21-25-43)39-16-12-10-13-17-39)33-58(65-56)59-34-46(44-26-22-42(23-27-44)40-18-14-11-15-19-40)32-57(66-59)55-38-51(64(7,8)9)37-54-53-36-50(63(4,5)6)35-52(47)60(53)67-61(54)55;1-53(2,3)37-25-41-35-22-34(31-16-10-7-11-17-31)23-36(24-35)45-29-39(32-18-12-8-13-19-32)47(55)51(57-45)52-48(56)40(33-20-14-9-15-21-33)30-46(58-52)44-28-38(54(4,5)6)27-43-42(26-37)49(41)59-50(43)44;1-50(2,3)33-21-31-20-32(22-33)42-27-36(29-16-12-10-13-17-29)44(53)48(55-42)49-45(54)37(30-18-14-11-15-19-30)28-43(56-49)41-26-35(52(7,8)9)25-40-39-24-34(51(4,5)6)23-38(31)46(39)57-47(40)41;1-47(2,3)31-21-35-29-18-13-19-30(20-29)39-25-33(27-14-9-7-10-15-27)41(49(51,52)53)45(57-39)46-42(50(54,55)56)34(28-16-11-8-12-17-28)26-40(58-46)38-24-32(48(4,5)6)23-37-36(22-31)43(35)59-44(37)38;1-47(2,3)31-21-35-29-18-13-19-30(20-29)39-25-33(27-14-9-7-10-15-27)41(49)45(51-39)46-42(50)34(28-16-11-8-12-17-28)26-40(52-46)38-24-32(48(4,5)6)23-37-36(22-31)43(35)53-44(37)38;;;;;;/h7-31,33-40H,1-6H3;10-27,29-38H,1-9H3;7-23,25-30H,1-6H3;10-19,21-28H,1-9H3;7-19,21-26H,1-6H3;7-19,21-26H,1-6H3;;;;;;/q6*-2;6*+2
InChIKeyAEMWRRBBHDZTIK-UHFFFAOYSA-N
MW5930.37 g/mol
LogP90.16
Rot. Bonds18

About CID 157429386

CID 157429386 (PubChem CID 157429386) has the molecular formula C334H266F12N18Pt6 and a molecular weight of 5930.37 g/mol.

Molecular Properties

Compound NameCID 157429386
PubChem CID157429386
Molecular FormulaC334H266F12N18Pt6
Molecular Weight5930.37 g/mol
Exact Mass5925.91
IUPAC Name—
SMILESCC(C)(C)c1cc2[c-]c(c1)-c1cc(C(C)(C)C)cc3c1[n-]c1c(cc(C(C)(C)C)cc13)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc-2n1.CC(C)(C)c1cc2[c-]c(c1)-c1cc(C(C)(C)C)cc3c1[n-]c1c(cc(C(C)(C)C)cc13)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc-2cc(-c2ccccc2)c1F.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1[c-]c-2cc(-c2ccccc2)c1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(C(F)(F)F)c(n1)-c1nc(cc(-c3ccccc3)c1C(F)(F)F)-c1[c-]c-2ccc1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc(cc(-c3ccccc3)c1F)-c1[c-]c-2cc(-c2ccccc2)c1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc(cc(-c3ccccc3)c1F)-c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C66H51N3.C64H55N3.C54H41F2N3.C52H45F2N3.C50H37F6N3.C48H37F2N3.6Pt/c1-65(2,3)53-37-55-51-30-48(43-20-14-9-15-21-43)31-52(32-51)59-33-49(46-26-22-44(23-27-46)41-16-10-7-11-17-41)35-61(67-59)62-36-50(47-28-24-45(25-29-47)42-18-12-8-13-19-42)34-60(68-62)58-40-54(66(4,5)6)39-57-56(38-53)63(55)69-64(57)58;1-62(2,3)49-29-47-28-48(30-49)56-31-45(43-24-20-41(21-25-43)39-16-12-10-13-17-39)33-58(65-56)59-34-46(44-26-22-42(23-27-44)40-18-14-11-15-19-40)32-57(66-59)55-38-51(64(7,8)9)37-54-53-36-50(63(4,5)6)35-52(47)60(53)67-61(54)55;1-53(2,3)37-25-41-35-22-34(31-16-10-7-11-17-31)23-36(24-35)45-29-39(32-18-12-8-13-19-32)47(55)51(57-45)52-48(56)40(33-20-14-9-15-21-33)30-46(58-52)44-28-38(54(4,5)6)27-43-42(26-37)49(41)59-50(43)44;1-50(2,3)33-21-31-20-32(22-33)42-27-36(29-16-12-10-13-17-29)44(53)48(55-42)49-45(54)37(30-18-14-11-15-19-30)28-43(56-49)41-26-35(52(7,8)9)25-40-39-24-34(51(4,5)6)23-38(31)46(39)57-47(40)41;1-47(2,3)31-21-35-29-18-13-19-30(20-29)39-25-33(27-14-9-7-10-15-27)41(49(51,52)53)45(57-39)46-42(50(54,55)56)34(28-16-11-8-12-17-28)26-40(58-46)38-24-32(48(4,5)6)23-37-36(22-31)43(35)59-44(37)38;1-47(2,3)31-21-35-29-18-13-19-30(20-29)39-25-33(27-14-9-7-10-15-27)41(49)45(51-39)46-42(50)34(28-16-11-8-12-17-28)26-40(52-46)38-24-32(48(4,5)6)23-37-36(22-31)43(35)53-44(37)38;;;;;;/h7-31,33-40H,1-6H3;10-27,29-38H,1-9H3;7-23,25-30H,1-6H3;10-19,21-28H,1-9H3;7-19,21-26H,1-6H3;7-19,21-26H,1-6H3;;;;;;/q6*-2;6*+2
InChIKeyAEMWRRBBHDZTIK-UHFFFAOYSA-N
XLogP90.16
TPSA239.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005930.37
LogP ≤ 590.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of CID 157429386?
The IUPAC name of CID 157429386 (CID 157429386) is not available.
What is the SMILES notation for CID 157429386?
The canonical SMILES for CID 157429386 is CC(C)(C)c1cc2[c-]c(c1)-c1cc(C(C)(C)C)cc3c1[n-]c1c(cc(C(C)(C)C)cc13)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc-2n1.CC(C)(C)c1cc2[c-]c(c1)-c1cc(C(C)(C)C)cc3c1[n-]c1c(cc(C(C)(C)C)cc13)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc-2cc(-c2ccccc2)c1F.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1cc(-c3ccc(-c4ccccc4)cc3)cc(n1)-c1[c-]c-2cc(-c2ccccc2)c1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(C(F)(F)F)c(n1)-c1nc(cc(-c3ccccc3)c1C(F)(F)F)-c1[c-]c-2ccc1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc(cc(-c3ccccc3)c1F)-c1[c-]c-2cc(-c2ccccc2)c1.CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cc(-c3ccccc3)c(F)c(n1)-c1nc(cc(-c3ccccc3)c1F)-c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157429386?
The InChIKey is AEMWRRBBHDZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N3.C64H55N3.C54H41F2N3.C52H45F2N3.C50H37F6N3.C48H37F2N3.6Pt/c1-65(2,3)53-37-55-51-30-48(43-20-14-9-15-21-43)31-52(32-51)59-33-49(46-26-22-44(23-27-46)41-16-10-7-11-17-41)35-61(67-59)62-36-50(47-28-24-45(25-29-47)42-18-12-8-13-19-42)34-60(68-62)58-40-54(66(4,5)6)39-57-56(38-53)63(55)69-64(57)58;1-62(2,3)49-29-47-28-48(30-49)56-31-45(43-24-20-41(21-25-43)39-16-12-10-13-17-39)33-58(65-56)59-34-46(44-26-22-42(23-27-44)40-18-14-11-15-19-40)32-57(66-59)55-38-51(64(7,8)9)37-54-53-36-50(63(4,5)6)35-52(47)60(53)67-61(54)55;1-53(2,3)37-25-41-35-22-34(31-16-10-7-11-17-31)23-36(24-35)45-29-39(32-18-12-8-13-19-32)47(55)51(57-45)52-48(56)40(33-20-14-9-15-21-33)30-46(58-52)44-28-38(54(4,5)6)27-43-42(26-37)49(41)59-50(43)44;1-50(2,3)33-21-31-20-32(22-33)42-27-36(29-16-12-10-13-17-29)44(53)48(55-42)49-45(54)37(30-18-14-11-15-19-30)28-43(56-49)41-26-35(52(7,8)9)25-40-39-24-34(51(4,5)6)23-38(31)46(39)57-47(40)41;1-47(2,3)31-21-35-29-18-13-19-30(20-29)39-25-33(27-14-9-7-10-15-27)41(49(51,52)53)45(57-39)46-42(50(54,55)56)34(28-16-11-8-12-17-28)26-40(58-46)38-24-32(48(4,5)6)23-37-36(22-31)43(35)59-44(37)38;1-47(2,3)31-21-35-29-18-13-19-30(20-29)39-25-33(27-14-9-7-10-15-27)41(49)45(51-39)46-42(50)34(28-16-11-8-12-17-28)26-40(52-46)38-24-32(48(4,5)6)23-37-36(22-31)43(35)53-44(37)38;;;;;;/h7-31,33-40H,1-6H3;10-27,29-38H,1-9H3;7-23,25-30H,1-6H3;10-19,21-28H,1-9H3;7-19,21-26H,1-6H3;7-19,21-26H,1-6H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 157429386?
CID 157429386 has a molecular weight of 5930.37 g/mol, XLogP of 90.16, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157429386 is sourced from PubChem (CID 157429386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).