2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate

C152H125N12OPt4S3- — CID 158721446

IUPAC2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate
SMILESCC(C)(C)c1cc(-c2ccc3c4cc(C(C)(C)C)ccc4n(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)c3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(-n3c4[c-]c(-c5ccccn5)ccc4c4ccccc43)n2)c([S-])c(C(C)(C)C)c1.Cc1cc(C)c([S-])c(-c2cccc(-n3c4[c-]c(-c5ccccn5)ccc4c4ccccc43)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1cccc(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)n1
InChIInChI=1S/C58H54N3O.C36H34N3S.C30H22N3S.C28H18N3S.4Pt/c1-56(2,3)44-24-27-53-48(34-44)47-25-26-51(49-35-45(57(4,5)6)36-50(54(49)62)58(7,8)9)60-55(47)61(53)46-31-42(38-18-14-11-15-19-38)30-43(32-46)52-33-41(28-29-59-52)40-22-20-39(21-23-40)37-16-12-10-13-17-37;1-35(2,3)24-21-27(34(40)28(22-24)36(4,5)6)30-14-11-16-33(38-30)39-31-15-8-7-12-25(31)26-18-17-23(20-32(26)39)29-13-9-10-19-37-29;1-19-16-20(2)30(34)24(17-19)26-10-7-12-29(32-26)33-27-11-4-3-8-22(27)23-14-13-21(18-28(23)33)25-9-5-6-15-31-25;32-27-13-4-2-9-22(27)24-11-7-14-28(30-24)31-25-12-3-1-8-20(25)21-16-15-19(18-26(21)31)23-10-5-6-17-29-23;;;;/h10-31,33-36,62H,1-9H3;7-19,21-22,40H,1-6H3;3-17,34H,1-2H3;1-17,32H;;;;/q4*-1;;3*+2/p-3
InChIKeyKUYKNIRXHUFXQU-UHFFFAOYSA-K
MW3012.27 g/mol
LogP38.35
Rot. Bonds15

About 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate

2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate (PubChem CID 158721446) has the molecular formula C152H125N12OPt4S3- and a molecular weight of 3012.27 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate
PubChem CID158721446
Molecular FormulaC152H125N12OPt4S3-
Molecular Weight3012.27 g/mol
Exact Mass3009.79
IUPAC Name2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate
SMILESCC(C)(C)c1cc(-c2ccc3c4cc(C(C)(C)C)ccc4n(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)c3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(-n3c4[c-]c(-c5ccccn5)ccc4c4ccccc43)n2)c([S-])c(C(C)(C)C)c1.Cc1cc(C)c([S-])c(-c2cccc(-n3c4[c-]c(-c5ccccn5)ccc4c4ccccc43)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1cccc(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)n1
InChIInChI=1S/C58H54N3O.C36H34N3S.C30H22N3S.C28H18N3S.4Pt/c1-56(2,3)44-24-27-53-48(34-44)47-25-26-51(49-35-45(57(4,5)6)36-50(54(49)62)58(7,8)9)60-55(47)61(53)46-31-42(38-18-14-11-15-19-38)30-43(32-46)52-33-41(28-29-59-52)40-22-20-39(21-23-40)37-16-12-10-13-17-37;1-35(2,3)24-21-27(34(40)28(22-24)36(4,5)6)30-14-11-16-33(38-30)39-31-15-8-7-12-25(31)26-18-17-23(20-32(26)39)29-13-9-10-19-37-29;1-19-16-20(2)30(34)24(17-19)26-10-7-12-29(32-26)33-27-11-4-3-8-22(27)23-14-13-21(18-28(23)33)25-9-5-6-15-31-25;32-27-13-4-2-9-22(27)24-11-7-14-28(30-24)31-25-12-3-1-8-20(25)21-16-15-19(18-26(21)31)23-10-5-6-17-29-23;;;;/h10-31,33-36,62H,1-9H3;7-19,21-22,40H,1-6H3;3-17,34H,1-2H3;1-17,32H;;;;/q4*-1;;3*+2/p-3
InChIKeyKUYKNIRXHUFXQU-UHFFFAOYSA-K
XLogP38.35
TPSA143.07 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003012.27
LogP ≤ 538.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate?
The IUPAC name of 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate (CID 158721446) is 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate?
The canonical SMILES for 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate is CC(C)(C)c1cc(-c2ccc3c4cc(C(C)(C)C)ccc4n(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)c3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(-n3c4[c-]c(-c5ccccn5)ccc4c4ccccc43)n2)c([S-])c(C(C)(C)C)c1.Cc1cc(C)c([S-])c(-c2cccc(-n3c4[c-]c(-c5ccccn5)ccc4c4ccccc43)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1cccc(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate?
The InChIKey is KUYKNIRXHUFXQU-UHFFFAOYSA-K. The full InChI is InChI=1S/C58H54N3O.C36H34N3S.C30H22N3S.C28H18N3S.4Pt/c1-56(2,3)44-24-27-53-48(34-44)47-25-26-51(49-35-45(57(4,5)6)36-50(54(49)62)58(7,8)9)60-55(47)61(53)46-31-42(38-18-14-11-15-19-38)30-43(32-46)52-33-41(28-29-59-52)40-22-20-39(21-23-40)37-16-12-10-13-17-37;1-35(2,3)24-21-27(34(40)28(22-24)36(4,5)6)30-14-11-16-33(38-30)39-31-15-8-7-12-25(31)26-18-17-23(20-32(26)39)29-13-9-10-19-37-29;1-19-16-20(2)30(34)24(17-19)26-10-7-12-29(32-26)33-27-11-4-3-8-22(27)23-14-13-21(18-28(23)33)25-9-5-6-15-31-25;32-27-13-4-2-9-22(27)24-11-7-14-28(30-24)31-25-12-3-1-8-20(25)21-16-15-19(18-26(21)31)23-10-5-6-17-29-23;;;;/h10-31,33-36,62H,1-9H3;7-19,21-22,40H,1-6H3;3-17,34H,1-2H3;1-17,32H;;;;/q4*-1;;3*+2/p-3.
What are the key properties of 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate?
2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate has a molecular weight of 3012.27 g/mol, XLogP of 38.35, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate is sourced from PubChem (CID 158721446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).