N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole

C194H144N10O8Pt4S — CID 158032253

IUPACN,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccnc(-c3[c-]c(Oc4[c-]c(C5(c6ccccn6)c6ccccc6Oc6ccccc65)ccc4)ccc3)c2)cc1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-c2nc3ccccc3s2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-c1cc(-n2c3ccccc3c3ccccc32)ccn1
InChIInChI=1S/C55H47N3O2.C47H29N3O2.C47H38N2O2.C45H30N2O2S.4Pt/c1-53(2,3)39-24-28-42(29-25-39)58(43-30-26-40(27-31-43)54(4,5)6)44-32-34-56-49(37-44)38-15-13-17-45(35-38)59-46-18-14-16-41(36-46)55(52-23-11-12-33-57-52)47-19-7-9-21-50(47)60-51-22-10-8-20-48(51)55;1-5-21-42-37(17-1)38-18-2-6-22-43(38)50(42)34-26-28-48-41(31-34)32-13-11-15-35(29-32)51-36-16-12-14-33(30-36)47(46-25-9-10-27-49-46)39-19-3-7-23-44(39)52-45-24-8-4-20-40(45)47;1-31-14-12-15-32(2)45(31)34-26-33(41-30-35(23-25-48-41)46(3,4)5)27-38(28-34)50-37-17-13-16-36(29-37)47(44-22-10-11-24-49-44)39-18-6-8-20-42(39)51-43-21-9-7-19-40(43)47;1-29-13-11-14-30(2)43(29)31-25-32(44-47-38-19-5-8-22-41(38)50-44)27-35(26-31)48-34-16-12-15-33(28-34)45(42-23-9-10-24-46-42)36-17-3-6-20-39(36)49-40-21-7-4-18-37(40)45;;;;/h7-34,37H,1-6H3;1-28,31H;6-26,28,30H,1-5H3;3-26H,1-2H3;;;;/q4*-2;4*+2
InChIKeyXROPELBBQDQAFA-UHFFFAOYSA-N
MW3555.73 g/mol
LogP48.33
Rot. Bonds26

About N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole

N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole (PubChem CID 158032253) has the molecular formula C194H144N10O8Pt4S and a molecular weight of 3555.73 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole
PubChem CID158032253
Molecular FormulaC194H144N10O8Pt4S
Molecular Weight3555.73 g/mol
Exact Mass3552.95
IUPAC NameN,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccnc(-c3[c-]c(Oc4[c-]c(C5(c6ccccn6)c6ccccc6Oc6ccccc65)ccc4)ccc3)c2)cc1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-c2nc3ccccc3s2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-c1cc(-n2c3ccccc3c3ccccc32)ccn1
InChIInChI=1S/C55H47N3O2.C47H29N3O2.C47H38N2O2.C45H30N2O2S.4Pt/c1-53(2,3)39-24-28-42(29-25-39)58(43-30-26-40(27-31-43)54(4,5)6)44-32-34-56-49(37-44)38-15-13-17-45(35-38)59-46-18-14-16-41(36-46)55(52-23-11-12-33-57-52)47-19-7-9-21-50(47)60-51-22-10-8-20-48(51)55;1-5-21-42-37(17-1)38-18-2-6-22-43(38)50(42)34-26-28-48-41(31-34)32-13-11-15-35(29-32)51-36-16-12-14-33(30-36)47(46-25-9-10-27-49-46)39-19-3-7-23-44(39)52-45-24-8-4-20-40(45)47;1-31-14-12-15-32(2)45(31)34-26-33(41-30-35(23-25-48-41)46(3,4)5)27-38(28-34)50-37-17-13-16-36(29-37)47(44-22-10-11-24-49-44)39-18-6-8-20-42(39)51-43-21-9-7-19-40(43)47;1-29-13-11-14-30(2)43(29)31-25-32(44-47-38-19-5-8-22-41(38)50-44)27-35(26-31)48-34-16-12-15-33(28-34)45(42-23-9-10-24-46-42)36-17-3-6-20-39(36)49-40-21-7-4-18-37(40)45;;;;/h7-34,37H,1-6H3;1-28,31H;6-26,28,30H,1-5H3;3-26H,1-2H3;;;;/q4*-2;4*+2
InChIKeyXROPELBBQDQAFA-UHFFFAOYSA-N
XLogP48.33
TPSA185.13 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003555.73
LogP ≤ 548.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole with MolForge

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Launch Full Analysis

Related Compounds

10-[4-[4-Phenoxazin-10-yl-2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148081
2-[3-(2,6-Dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 146872617
N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))
CID 157071985
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole
CID 157119600
3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(2H-naphthalen-2-id-1-yl)isoquinoline;1-phenylisoquinoline;2-phenylpyridine;1-(3H-pyridin-3-id-4-yl)isoquinoline
CID 157157233
2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
CID 157467243
2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole
CID 157487137
9-[4-(4-Carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-dimethylcarbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole
CID 157640522
N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridin-4-amine;9-[3-[3-(4-tert-butyl-2-pyridinyl)-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;2-[3-(2,6-dimethylphenyl)-5-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tris(platinum(2+))
CID 157652472
2-[3-(2,6-Dimethylphenyl)-5-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 157652473
10-([1]benzothiolo[2,3-b]pyrazin-7-yl)-N,N-diphenylspiro[acridine-9,9'-fluorene]-2-amine;10-([1]benzothiolo[2,3-b]pyrazin-7-yl)phenothiazine;10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene];2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzothiolo[2,3-b]pyrazine;7-spiro[acridine-9,9'-fluorene]-10-yl-[1]benzothiolo[2,3-b]pyrazine
CID 157702980
2-[6-Tert-butyl-4-(2-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(2,4-ditert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
CID 157756026

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole (CID 158032253) is N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccnc(-c3[c-]c(Oc4[c-]c(C5(c6ccccn6)c6ccccc6Oc6ccccc65)ccc4)ccc3)c2)cc1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-c2nc3ccccc3s2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-c1cc(-n2c3ccccc3c3ccccc32)ccn1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole?
The InChIKey is XROPELBBQDQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N3O2.C47H29N3O2.C47H38N2O2.C45H30N2O2S.4Pt/c1-53(2,3)39-24-28-42(29-25-39)58(43-30-26-40(27-31-43)54(4,5)6)44-32-34-56-49(37-44)38-15-13-17-45(35-38)59-46-18-14-16-41(36-46)55(52-23-11-12-33-57-52)47-19-7-9-21-50(47)60-51-22-10-8-20-48(51)55;1-5-21-42-37(17-1)38-18-2-6-22-43(38)50(42)34-26-28-48-41(31-34)32-13-11-15-35(29-32)51-36-16-12-14-33(30-36)47(46-25-9-10-27-49-46)39-19-3-7-23-44(39)52-45-24-8-4-20-40(45)47;1-31-14-12-15-32(2)45(31)34-26-33(41-30-35(23-25-48-41)46(3,4)5)27-38(28-34)50-37-17-13-16-36(29-37)47(44-22-10-11-24-49-44)39-18-6-8-20-42(39)51-43-21-9-7-19-40(43)47;1-29-13-11-14-30(2)43(29)31-25-32(44-47-38-19-5-8-22-41(38)50-44)27-35(26-31)48-34-16-12-15-33(28-34)45(42-23-9-10-24-46-42)36-17-3-6-20-39(36)49-40-21-7-4-18-37(40)45;;;;/h7-34,37H,1-6H3;1-28,31H;6-26,28,30H,1-5H3;3-26H,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole?
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole has a molecular weight of 3555.73 g/mol, XLogP of 48.33, 26 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole is sourced from PubChem (CID 158032253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).