N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine

C134H104N2S2Si — CID 157099087

IUPACN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4sc5cc(-c6cccc7c6C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1
InChIInChI=1S/C70H55NSSi.C64H49NS/c1-5-15-49(16-6-1)50-25-29-55(30-26-50)71(56-31-34-61(35-32-56)73(58-17-7-2-8-18-58,59-19-9-3-10-20-59)60-21-11-4-12-22-60)57-33-38-69-65(46-57)64-45-52(28-37-68(64)72-69)51-27-36-67-63(44-51)62-23-13-14-24-66(62)70(67)53-40-47-39-48(42-53)43-54(70)41-47;1-4-13-43(14-5-1)44-23-26-50(27-24-44)65(51-28-31-53(45-15-6-2-7-16-45)58(39-51)46-17-8-3-9-18-46)52-29-32-61-59(40-52)56-30-25-47(38-62(56)66-61)54-20-12-21-57-55-19-10-11-22-60(55)64(63(54)57)48-34-41-33-42(36-48)37-49(64)35-41/h1-38,44-48,53-54H,39-43H2;1-32,38-42,48-49H,33-37H2
InChIKeyAFOCKZUCYJUSJN-UHFFFAOYSA-N
MW1834.54 g/mol
LogP33.87
Rot. Bonds16

About N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine

N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine (PubChem CID 157099087) has the molecular formula C134H104N2S2Si and a molecular weight of 1834.54 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine
PubChem CID157099087
Molecular FormulaC134H104N2S2Si
Molecular Weight1834.54 g/mol
Exact Mass1832.74
IUPAC NameN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4sc5cc(-c6cccc7c6C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1
InChIInChI=1S/C70H55NSSi.C64H49NS/c1-5-15-49(16-6-1)50-25-29-55(30-26-50)71(56-31-34-61(35-32-56)73(58-17-7-2-8-18-58,59-19-9-3-10-20-59)60-21-11-4-12-22-60)57-33-38-69-65(46-57)64-45-52(28-37-68(64)72-69)51-27-36-67-63(44-51)62-23-13-14-24-66(62)70(67)53-40-47-39-48(42-53)43-54(70)41-47;1-4-13-43(14-5-1)44-23-26-50(27-24-44)65(51-28-31-53(45-15-6-2-7-16-45)58(39-51)46-17-8-3-9-18-46)52-29-32-61-59(40-52)56-30-25-47(38-62(56)66-61)54-20-12-21-57-55-19-10-11-22-60(55)64(63(54)57)48-34-41-33-42(36-48)37-49(64)35-41/h1-38,44-48,53-54H,39-43H2;1-32,38-42,48-49H,33-37H2
InChIKeyAFOCKZUCYJUSJN-UHFFFAOYSA-N
XLogP33.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.54
LogP ≤ 533.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
CID 159214980
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-ylcarbazol-3-amine
CID 159384155
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;methane;N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163650615
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163601569
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 161287905
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170113387
N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine
CID 156567823
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
2-[4-(6'-dibenzothiophen-2-ylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803630
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine (CID 157099087) is N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4sc5cc(-c6cccc7c6C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine?
The InChIKey is AFOCKZUCYJUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H55NSSi.C64H49NS/c1-5-15-49(16-6-1)50-25-29-55(30-26-50)71(56-31-34-61(35-32-56)73(58-17-7-2-8-18-58,59-19-9-3-10-20-59)60-21-11-4-12-22-60)57-33-38-69-65(46-57)64-45-52(28-37-68(64)72-69)51-27-36-67-63(44-51)62-23-13-14-24-66(62)70(67)53-40-47-39-48(42-53)43-54(70)41-47;1-4-13-43(14-5-1)44-23-26-50(27-24-44)65(51-28-31-53(45-15-6-2-7-16-45)58(39-51)46-17-8-3-9-18-46)52-29-32-61-59(40-52)56-30-25-47(38-62(56)66-61)54-20-12-21-57-55-19-10-11-22-60(55)64(63(54)57)48-34-41-33-42(36-48)37-49(64)35-41/h1-38,44-48,53-54H,39-43H2;1-32,38-42,48-49H,33-37H2.
What are the key properties of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine?
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine has a molecular weight of 1834.54 g/mol, XLogP of 33.87, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 157099087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).