CID 158609914

C312H268F14N36Pt7+14 — CID 158609914

IUPAC—
SMILES[2H]C([2H])([2H])C(c1ccc([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cc4)c4ncccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(C(F)(F)c4[c-]c([N+]5=C=[N+](C([2H])([2H])[2H])c6ccccc65)cc(C(C)(C)C)c4)ccc3c3ncccc32)c1.[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1[N+]1=C=[N+](c2[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cn4)c4cnccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cc4)c4ncccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2C([2H])([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1ccc(C([2H])([2H])[2H])cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C55H44F2N6.C48H45F2N5.2C45H39F2N5.C44H37F2N5.C39H35F2N5.C36H29F2N5.7Pt/c1-53(2,3)38-24-27-59-51(31-38)63-46-25-26-58-33-44(46)45-34-60-50(32-49(45)63)55(56,57)40-28-39(54(4,5)6)29-41(30-40)61-35-62(48-23-14-13-22-47(48)61)52-42(36-16-9-7-10-17-36)20-15-21-43(52)37-18-11-8-12-19-37;1-45(2,3)31-16-19-36(20-17-31)53-30-54(40-14-11-10-13-39(40)53)37-26-34(47(7,8)9)25-35(27-37)48(49,50)33-18-21-38-42(28-33)55(41-15-12-23-52-44(38)41)43-29-32(22-24-51-43)46(4,5)6;2*1-29-14-17-34(18-15-29)50-28-51(38-12-9-8-11-37(38)50)35-24-32(44(5,6)7)23-33(25-35)45(46,47)31-16-19-36-40(26-31)52(39-13-10-21-49-42(36)39)41-27-30(20-22-48-41)43(2,3)4;1-42(2,3)29-20-22-47-40(27-29)51-38-17-12-21-48-41(38)35-19-18-30(26-39(35)51)44(45,46)32-23-31(43(4,5)6)24-34(25-32)50-28-49(33-13-8-7-9-14-33)36-15-10-11-16-37(36)50;1-37(2,3)25-16-18-42-35(23-25)46-33-13-10-17-43-36(33)30-15-14-26(22-34(30)46)39(40,41)28-19-27(38(4,5)6)20-29(21-28)45-24-44(7)31-11-8-9-12-32(31)45;1-23-14-16-39-33(17-23)43-31-11-8-15-40-34(31)28-13-12-24(21-32(28)43)36(37,38)26-18-25(35(2,3)4)19-27(20-26)42-22-41(5)29-9-6-7-10-30(29)42;;;;;;;/h7-29,31,33-34H,1-6H3;10-26,29H,1-9H3;2*8-24,27H,1-7H3;7-24,27H,1-6H3;8-20,23H,1-7H3;6-19H,1-5H3;;;;;;;/q;;;;;;;7*+2/i7D,8D,9D,10D,11D,12D,16D,17D,18D,19D;1D3,2D3,3D3;1D3,14D,15D,17D,18D;1D3,8D,9D,11D,12D;7D,8D,9D,13D,14D;7D3,8D,9D,11D,12D;1D3,5D3;;;;;;;
InChIKeyFHNPLUGXLJYPLR-HKXMXXFTSA-N
MW6204.66 g/mol
LogP75.88
Rot. Bonds40

About CID 158609914

CID 158609914 (PubChem CID 158609914) has the molecular formula C312H268F14N36Pt7+14 and a molecular weight of 6204.66 g/mol.

Molecular Properties

Compound NameCID 158609914
PubChem CID158609914
Molecular FormulaC312H268F14N36Pt7+14
Molecular Weight6204.66 g/mol
Exact Mass6200.25
IUPAC Name—
SMILES[2H]C([2H])([2H])C(c1ccc([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cc4)c4ncccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(C(F)(F)c4[c-]c([N+]5=C=[N+](C([2H])([2H])[2H])c6ccccc65)cc(C(C)(C)C)c4)ccc3c3ncccc32)c1.[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1[N+]1=C=[N+](c2[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cn4)c4cnccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cc4)c4ncccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2C([2H])([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1ccc(C([2H])([2H])[2H])cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C55H44F2N6.C48H45F2N5.2C45H39F2N5.C44H37F2N5.C39H35F2N5.C36H29F2N5.7Pt/c1-53(2,3)38-24-27-59-51(31-38)63-46-25-26-58-33-44(46)45-34-60-50(32-49(45)63)55(56,57)40-28-39(54(4,5)6)29-41(30-40)61-35-62(48-23-14-13-22-47(48)61)52-42(36-16-9-7-10-17-36)20-15-21-43(52)37-18-11-8-12-19-37;1-45(2,3)31-16-19-36(20-17-31)53-30-54(40-14-11-10-13-39(40)53)37-26-34(47(7,8)9)25-35(27-37)48(49,50)33-18-21-38-42(28-33)55(41-15-12-23-52-44(38)41)43-29-32(22-24-51-43)46(4,5)6;2*1-29-14-17-34(18-15-29)50-28-51(38-12-9-8-11-37(38)50)35-24-32(44(5,6)7)23-33(25-35)45(46,47)31-16-19-36-40(26-31)52(39-13-10-21-49-42(36)39)41-27-30(20-22-48-41)43(2,3)4;1-42(2,3)29-20-22-47-40(27-29)51-38-17-12-21-48-41(38)35-19-18-30(26-39(35)51)44(45,46)32-23-31(43(4,5)6)24-34(25-32)50-28-49(33-13-8-7-9-14-33)36-15-10-11-16-37(36)50;1-37(2,3)25-16-18-42-35(23-25)46-33-13-10-17-43-36(33)30-15-14-26(22-34(30)46)39(40,41)28-19-27(38(4,5)6)20-29(21-28)45-24-44(7)31-11-8-9-12-32(31)45;1-23-14-16-39-33(17-23)43-31-11-8-15-40-34(31)28-13-12-24(21-32(28)43)36(37,38)26-18-25(35(2,3)4)19-27(20-26)42-22-41(5)29-9-6-7-10-30(29)42;;;;;;;/h7-29,31,33-34H,1-6H3;10-26,29H,1-9H3;2*8-24,27H,1-7H3;7-24,27H,1-6H3;8-20,23H,1-7H3;6-19H,1-5H3;;;;;;;/q;;;;;;;7*+2/i7D,8D,9D,10D,11D,12D,16D,17D,18D,19D;1D3,2D3,3D3;1D3,14D,15D,17D,18D;1D3,8D,9D,11D,12D;7D,8D,9D,13D,14D;7D3,8D,9D,11D,12D;1D3,5D3;;;;;;;
InChIKeyFHNPLUGXLJYPLR-HKXMXXFTSA-N
XLogP75.88
TPSA270.00 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006204.66
LogP ≤ 575.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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Related Compounds

7-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[3,2-b]indol-6-ide;5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[3,2-b]indol-6-ide;5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[3,2-b]indol-6-ide;5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-[4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[3,2-b]indol-6-ide;tetrakis(platinum(2+))
CID 158620583
5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-[4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)
CID 162465698
5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)
CID 162465798
5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)
CID 162465715
3-[[3-tert-butyl-5-[3-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+)
CID 162465634
7-[3-[3-[2,6-bis[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)
CID 162465819
3-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[4,3-b]indol-4-ide;platinum(2+)
CID 162465618
7-[[3-[3-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]-difluoromethyl]-5-(4-tert-butyl-2-pyridinyl)-6H-pyrido[4,3-b]indol-6-ide;platinum(2+)
CID 162465712
7-[[3-tert-butyl-5-[3-(2-tert-butylphenyl)-4,5,6,7-tetradeuteriobenzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-9-(4-tert-butyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-ide;platinum(2+)
CID 162465666
5-(4-tert-butyl-2-pyridinyl)-3-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]-difluoromethyl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)
CID 162465652
5-(4-tert-butyl-2-pyridinyl)-7-[[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-[4-(trideuteriomethyl)phenyl]benzimidazole-1,3-diium-1-yl]phenyl]-difluoromethyl]pyrido[4,3-b]indole
CID 159841914
5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)
CID 162465833

Frequently Asked Questions

What is the IUPAC name of CID 158609914?
The IUPAC name of CID 158609914 (CID 158609914) is not available.
What is the SMILES notation for CID 158609914?
The canonical SMILES for CID 158609914 is [2H]C([2H])([2H])C(c1ccc([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cc4)c4ncccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(C(F)(F)c4[c-]c([N+]5=C=[N+](C([2H])([2H])[2H])c6ccccc65)cc(C(C)(C)C)c4)ccc3c3ncccc32)c1.[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1[N+]1=C=[N+](c2[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cn4)c4cnccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c([N+]2=C=[N+](c3[c-]c(C(F)(F)c4[c-]c5c(cc4)c4ncccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2C([2H])([2H])[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(C(F)(F)c3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1ccc(C([2H])([2H])[2H])cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 158609914?
The InChIKey is FHNPLUGXLJYPLR-HKXMXXFTSA-N. The full InChI is InChI=1S/C55H44F2N6.C48H45F2N5.2C45H39F2N5.C44H37F2N5.C39H35F2N5.C36H29F2N5.7Pt/c1-53(2,3)38-24-27-59-51(31-38)63-46-25-26-58-33-44(46)45-34-60-50(32-49(45)63)55(56,57)40-28-39(54(4,5)6)29-41(30-40)61-35-62(48-23-14-13-22-47(48)61)52-42(36-16-9-7-10-17-36)20-15-21-43(52)37-18-11-8-12-19-37;1-45(2,3)31-16-19-36(20-17-31)53-30-54(40-14-11-10-13-39(40)53)37-26-34(47(7,8)9)25-35(27-37)48(49,50)33-18-21-38-42(28-33)55(41-15-12-23-52-44(38)41)43-29-32(22-24-51-43)46(4,5)6;2*1-29-14-17-34(18-15-29)50-28-51(38-12-9-8-11-37(38)50)35-24-32(44(5,6)7)23-33(25-35)45(46,47)31-16-19-36-40(26-31)52(39-13-10-21-49-42(36)39)41-27-30(20-22-48-41)43(2,3)4;1-42(2,3)29-20-22-47-40(27-29)51-38-17-12-21-48-41(38)35-19-18-30(26-39(35)51)44(45,46)32-23-31(43(4,5)6)24-34(25-32)50-28-49(33-13-8-7-9-14-33)36-15-10-11-16-37(36)50;1-37(2,3)25-16-18-42-35(23-25)46-33-13-10-17-43-36(33)30-15-14-26(22-34(30)46)39(40,41)28-19-27(38(4,5)6)20-29(21-28)45-24-44(7)31-11-8-9-12-32(31)45;1-23-14-16-39-33(17-23)43-31-11-8-15-40-34(31)28-13-12-24(21-32(28)43)36(37,38)26-18-25(35(2,3)4)19-27(20-26)42-22-41(5)29-9-6-7-10-30(29)42;;;;;;;/h7-29,31,33-34H,1-6H3;10-26,29H,1-9H3;2*8-24,27H,1-7H3;7-24,27H,1-6H3;8-20,23H,1-7H3;6-19H,1-5H3;;;;;;;/q;;;;;;;7*+2/i7D,8D,9D,10D,11D,12D,16D,17D,18D,19D;1D3,2D3,3D3;1D3,14D,15D,17D,18D;1D3,8D,9D,11D,12D;7D,8D,9D,13D,14D;7D3,8D,9D,11D,12D;1D3,5D3;;;;;;;.
What are the key properties of CID 158609914?
CID 158609914 has a molecular weight of 6204.66 g/mol, XLogP of 75.88, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158609914 is sourced from PubChem (CID 158609914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).