2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum

C180H172N16O8Pt4S4-12 — CID 160825906

IUPAC2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc21.Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(S(=O)(=O)c2[c-]c3c(c(-c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(S(=O)(=O)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(C(C)(C)C)ccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C52H47N4O2S.C46H43N4O2S.C43H45N4O2S.C39H37N4O2S.4Pt/c1-34-25-46-47(26-35(34)2)55(33-54(46)39-19-13-10-14-20-39)40-27-38(52(6,7)8)28-41(30-40)59(57,58)42-31-44(36-17-11-9-12-18-36)50-43-21-15-16-22-45(43)56(48(50)32-42)49-29-37(23-24-53-49)51(3,4)5;1-30-22-42-43(23-31(30)2)49(29-48(42)34-14-10-9-11-15-34)35-24-33(46(6,7)8)25-37(27-35)53(51,52)36-18-19-39-38-16-12-13-17-40(38)50(41(39)28-36)44-26-32(20-21-47-44)45(3,4)5;1-41(2,3)28-15-18-37-39(23-28)45(10)27-46(37)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6;1-38(2,3)26-15-18-34-36(21-26)42(25-41(34)7)28-11-10-12-29(23-28)46(44,45)30-16-17-32-31-13-8-9-14-33(31)43(35(32)24-30)37-22-27(19-20-40-37)39(4,5)6;;;;/h9-29,31,33H,1-8H3;9-26,29H,1-8H3;11-24,27H,1-10H3;8-22,25H,1-7H3;;;;/q4*-3;;;;/i;;;7D3;;;;
InChIKeyVKCXZHSGQLAWLK-ASOLXHCTSA-N
MW3599.06 g/mol
LogP43.25
Rot. Bonds20

About 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum (PubChem CID 160825906) has the molecular formula C180H172N16O8Pt4S4-12 and a molecular weight of 3599.06 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum
PubChem CID160825906
Molecular FormulaC180H172N16O8Pt4S4-12
Molecular Weight3599.06 g/mol
Exact Mass3596.13
IUPAC Name2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc21.Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(S(=O)(=O)c2[c-]c3c(c(-c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(S(=O)(=O)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(C(C)(C)C)ccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C52H47N4O2S.C46H43N4O2S.C43H45N4O2S.C39H37N4O2S.4Pt/c1-34-25-46-47(26-35(34)2)55(33-54(46)39-19-13-10-14-20-39)40-27-38(52(6,7)8)28-41(30-40)59(57,58)42-31-44(36-17-11-9-12-18-36)50-43-21-15-16-22-45(43)56(48(50)32-42)49-29-37(23-24-53-49)51(3,4)5;1-30-22-42-43(23-31(30)2)49(29-48(42)34-14-10-9-11-15-34)35-24-33(46(6,7)8)25-37(27-35)53(51,52)36-18-19-39-38-16-12-13-17-40(38)50(41(39)28-36)44-26-32(20-21-47-44)45(3,4)5;1-41(2,3)28-15-18-37-39(23-28)45(10)27-46(37)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6;1-38(2,3)26-15-18-34-36(21-26)42(25-41(34)7)28-11-10-12-29(23-28)46(44,45)30-16-17-32-31-13-8-9-14-33(31)43(35(32)24-30)37-22-27(19-20-40-37)39(4,5)6;;;;/h9-29,31,33H,1-8H3;9-26,29H,1-8H3;11-24,27H,1-10H3;8-22,25H,1-7H3;;;;/q4*-3;;;;/i;;;7D3;;;;
InChIKeyVKCXZHSGQLAWLK-ASOLXHCTSA-N
XLogP43.25
TPSA233.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003599.06
LogP ≤ 543.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum with MolForge

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Launch Full Analysis

Related Compounds

2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155606686
2-[9-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[9-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[9-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-5-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[9-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum
CID 161450377
N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155606666
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168836099
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155651086
2-[3-tert-butyl-5-[6-(2-phenylpropan-2-yl)-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 162448411
2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155652560
2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 162449540
2-[3-tert-butyl-5-[6-tert-butyl-3-[4-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 162448304
9-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 164931627
2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 162449146
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)
CID 162448786

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum (CID 160825906) is 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc21.Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(S(=O)(=O)c2[c-]c3c(c(-c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(S(=O)(=O)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(C(C)(C)C)ccc21.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum?
The InChIKey is VKCXZHSGQLAWLK-ASOLXHCTSA-N. The full InChI is InChI=1S/C52H47N4O2S.C46H43N4O2S.C43H45N4O2S.C39H37N4O2S.4Pt/c1-34-25-46-47(26-35(34)2)55(33-54(46)39-19-13-10-14-20-39)40-27-38(52(6,7)8)28-41(30-40)59(57,58)42-31-44(36-17-11-9-12-18-36)50-43-21-15-16-22-45(43)56(48(50)32-42)49-29-37(23-24-53-49)51(3,4)5;1-30-22-42-43(23-31(30)2)49(29-48(42)34-14-10-9-11-15-34)35-24-33(46(6,7)8)25-37(27-35)53(51,52)36-18-19-39-38-16-12-13-17-40(38)50(41(39)28-36)44-26-32(20-21-47-44)45(3,4)5;1-41(2,3)28-15-18-37-39(23-28)45(10)27-46(37)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6;1-38(2,3)26-15-18-34-36(21-26)42(25-41(34)7)28-11-10-12-29(23-28)46(44,45)30-16-17-32-31-13-8-9-14-33(31)43(35(32)24-30)37-22-27(19-20-40-37)39(4,5)6;;;;/h9-29,31,33H,1-8H3;9-26,29H,1-8H3;11-24,27H,1-10H3;8-22,25H,1-7H3;;;;/q4*-3;;;;/i;;;7D3;;;;.
What are the key properties of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum?
2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum has a molecular weight of 3599.06 g/mol, XLogP of 43.25, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-4-phenyl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfonyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 160825906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).