2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum

C195H127F6N15O6Pt4S-4 — CID 158586523

IUPAC2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCn1c(-c2cc(-c3ccccc3)ccc2O)nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc21.Oc1ccc(-c2ccccc2)cc1-c1nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc2n1-c1ccccc1.Oc1ccccc1-c1nc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)n3)cccc2n1-c1ccccc1.Oc1ccccc1-c1nc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)n3)cccc2s1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C54H35N4O2.C49H32F3N4O.C49H33N4O2.C43H27F3N3OS.4Pt/c59-49-32-31-37(36-17-5-1-6-18-36)34-46(49)54-56-51-44(28-16-29-48(51)58(54)41-24-11-4-12-25-41)52-53-45(43-27-13-14-30-50(43)60-53)35-47(55-52)38-19-15-26-42(33-38)57(39-20-7-2-8-21-39)40-22-9-3-10-23-40;50-49(51,52)36-28-26-33(27-29-36)35-31-43(34-14-12-21-40(30-34)55(37-15-4-1-5-16-37)38-17-6-2-7-18-38)53-44(32-35)41-23-13-24-45-47(41)54-48(42-22-10-11-25-46(42)57)56(45)39-19-8-3-9-20-39;1-52-43-25-14-24-39(46(43)51-49(52)41-30-33(27-28-44(41)54)32-15-5-2-6-16-32)47-48-40(38-23-11-12-26-45(38)55-48)31-42(50-47)34-17-13-22-37(29-34)53(35-18-7-3-8-19-35)36-20-9-4-10-21-36;44-43(45,46)31-23-21-28(22-24-31)30-26-37(29-11-9-16-34(25-29)49(32-12-3-1-4-13-32)33-14-5-2-6-15-33)47-38(27-30)35-18-10-20-40-41(35)48-42(51-40)36-17-7-8-19-39(36)50;;;;/h1-18,20-35,59H;1-13,15-32,57H;2-16,18-31,54H,1H3;1-10,12-27,50H;;;;/q4*-1;;;;
InChIKeySXOOGYOBZPQCPU-UHFFFAOYSA-N
MW3702.63 g/mol
LogP51.90
Rot. Bonds30

About 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 158586523) has the molecular formula C195H127F6N15O6Pt4S-4 and a molecular weight of 3702.63 g/mol. Its IUPAC name is 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID158586523
Molecular FormulaC195H127F6N15O6Pt4S-4
Molecular Weight3702.63 g/mol
Exact Mass3699.83
IUPAC Name2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCn1c(-c2cc(-c3ccccc3)ccc2O)nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc21.Oc1ccc(-c2ccccc2)cc1-c1nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc2n1-c1ccccc1.Oc1ccccc1-c1nc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)n3)cccc2n1-c1ccccc1.Oc1ccccc1-c1nc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)n3)cccc2s1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C54H35N4O2.C49H32F3N4O.C49H33N4O2.C43H27F3N3OS.4Pt/c59-49-32-31-37(36-17-5-1-6-18-36)34-46(49)54-56-51-44(28-16-29-48(51)58(54)41-24-11-4-12-25-41)52-53-45(43-27-13-14-30-50(43)60-53)35-47(55-52)38-19-15-26-42(33-38)57(39-20-7-2-8-21-39)40-22-9-3-10-23-40;50-49(51,52)36-28-26-33(27-29-36)35-31-43(34-14-12-21-40(30-34)55(37-15-4-1-5-16-37)38-17-6-2-7-18-38)53-44(32-35)41-23-13-24-45-47(41)54-48(42-22-10-11-25-46(42)57)56(45)39-19-8-3-9-20-39;1-52-43-25-14-24-39(46(43)51-49(52)41-30-33(27-28-44(41)54)32-15-5-2-6-16-32)47-48-40(38-23-11-12-26-45(38)55-48)31-42(50-47)34-17-13-22-37(29-34)53(35-18-7-3-8-19-35)36-20-9-4-10-21-36;44-43(45,46)31-23-21-28(22-24-31)30-26-37(29-11-9-16-34(25-29)49(32-12-3-1-4-13-32)33-14-5-2-6-15-33)47-38(27-30)35-18-10-20-40-41(35)48-42(51-40)36-17-7-8-19-39(36)50;;;;/h1-18,20-35,59H;1-13,15-32,57H;2-16,18-31,54H,1H3;1-10,12-27,50H;;;;/q4*-1;;;;
InChIKeySXOOGYOBZPQCPU-UHFFFAOYSA-N
XLogP51.90
TPSA238.07 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003702.63
LogP ≤ 551.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum with MolForge

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Related Compounds

N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;4-phenyl-2-[4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]-1,3-benzothiazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
CID 160860604
2-[3-Anthracen-9-yl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-[4-anthracen-9-yl-6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[3-(1,10-phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-quinoxalin-5-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 161951747
5-[17-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-10-yl]-12-[17-phenyl-11-[11-phenyl-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-a]carbazol-5-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 139484324
8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
CID 157059270
CID 157059270
CID 157059656
CID 157059656
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 157061819
2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 157066948
4-Dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157075612

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum (CID 158586523) is 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum is Cn1c(-c2cc(-c3ccccc3)ccc2O)nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc21.Oc1ccc(-c2ccccc2)cc1-c1nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc2n1-c1ccccc1.Oc1ccccc1-c1nc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)n3)cccc2n1-c1ccccc1.Oc1ccccc1-c1nc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)n3)cccc2s1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is SXOOGYOBZPQCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N4O2.C49H32F3N4O.C49H33N4O2.C43H27F3N3OS.4Pt/c59-49-32-31-37(36-17-5-1-6-18-36)34-46(49)54-56-51-44(28-16-29-48(51)58(54)41-24-11-4-12-25-41)52-53-45(43-27-13-14-30-50(43)60-53)35-47(55-52)38-19-15-26-42(33-38)57(39-20-7-2-8-21-39)40-22-9-3-10-23-40;50-49(51,52)36-28-26-33(27-29-36)35-31-43(34-14-12-21-40(30-34)55(37-15-4-1-5-16-37)38-17-6-2-7-18-38)53-44(32-35)41-23-13-24-45-47(41)54-48(42-22-10-11-25-46(42)57)56(45)39-19-8-3-9-20-39;1-52-43-25-14-24-39(46(43)51-49(52)41-30-33(27-28-44(41)54)32-15-5-2-6-16-32)47-48-40(38-23-11-12-26-45(38)55-48)31-42(50-47)34-17-13-22-37(29-34)53(35-18-7-3-8-19-35)36-20-9-4-10-21-36;44-43(45,46)31-23-21-28(22-24-31)30-26-37(29-11-9-16-34(25-29)49(32-12-3-1-4-13-32)33-14-5-2-6-15-33)47-38(27-30)35-18-10-20-40-41(35)48-42(51-40)36-17-7-8-19-39(36)50;;;;/h1-18,20-35,59H;1-13,15-32,57H;2-16,18-31,54H,1H3;1-10,12-27,50H;;;;/q4*-1;;;;.
What are the key properties of 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum?
2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 3702.63 g/mol, XLogP of 51.90, 30 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 158586523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).