N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine

C214H146N4OS4 — CID 157406821

IUPACN,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
SMILESC.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccc7ccccc7c64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C59H39NS.C53H33NOS.C53H35NS.C47H31NS.2CH4/c1-3-13-40(14-4-1)42-23-31-47(32-24-42)60(48-33-25-43(26-34-48)41-15-5-2-6-16-41)49-35-27-44(28-36-49)46-29-37-52-51-19-9-10-20-53(51)59(55(52)39-46)54-21-11-12-22-56(54)61-57-38-30-45-17-7-8-18-50(45)58(57)59;1-2-14-37(15-3-1)54(47-22-12-19-43-42-18-7-10-23-48(42)55-52(43)47)38-29-25-34(26-30-38)36-27-31-41-40-17-6-8-20-44(40)53(46(41)33-36)45-21-9-11-24-49(45)56-50-32-28-35-13-4-5-16-39(35)51(50)53;1-3-14-36(15-4-1)38-26-31-41(32-27-38)54(42-33-28-39(29-34-42)37-16-5-2-6-17-37)48-24-13-21-45-44-20-9-10-22-46(44)53(51(45)48)47-23-11-12-25-49(47)55-50-35-30-40-18-7-8-19-43(40)52(50)53;1-3-14-32(15-4-1)33-26-29-36(30-27-33)48(35-17-5-2-6-18-35)42-24-13-21-39-38-20-9-10-22-40(38)47(45(39)42)41-23-11-12-25-43(41)49-44-31-28-34-16-7-8-19-37(34)46(44)47;;/h1-39H;1-33H;1-35H;1-31H;2*1H4
InChIKeyBNUVEYIPMVNJTL-UHFFFAOYSA-N
MW2917.82 g/mol
LogP59.39
Rot. Bonds19

About N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine

N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine (PubChem CID 157406821) has the molecular formula C214H146N4OS4 and a molecular weight of 2917.82 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
PubChem CID157406821
Molecular FormulaC214H146N4OS4
Molecular Weight2917.82 g/mol
Exact Mass2915.04
IUPAC NameN,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
SMILESC.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccc7ccccc7c64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C59H39NS.C53H33NOS.C53H35NS.C47H31NS.2CH4/c1-3-13-40(14-4-1)42-23-31-47(32-24-42)60(48-33-25-43(26-34-48)41-15-5-2-6-16-41)49-35-27-44(28-36-49)46-29-37-52-51-19-9-10-20-53(51)59(55(52)39-46)54-21-11-12-22-56(54)61-57-38-30-45-17-7-8-18-50(45)58(57)59;1-2-14-37(15-3-1)54(47-22-12-19-43-42-18-7-10-23-48(42)55-52(43)47)38-29-25-34(26-30-38)36-27-31-41-40-17-6-8-20-44(40)53(46(41)33-36)45-21-9-11-24-49(45)56-50-32-28-35-13-4-5-16-39(35)51(50)53;1-3-14-36(15-4-1)38-26-31-41(32-27-38)54(42-33-28-39(29-34-42)37-16-5-2-6-17-37)48-24-13-21-45-44-20-9-10-22-46(44)53(51(45)48)47-23-11-12-25-49(47)55-50-35-30-40-18-7-8-19-43(40)52(50)53;1-3-14-32(15-4-1)33-26-29-36(30-27-33)48(35-17-5-2-6-18-35)42-24-13-21-39-38-20-9-10-22-40(38)47(45(39)42)41-23-11-12-25-43(41)49-44-31-28-34-16-7-8-19-37(34)46(44)47;;/h1-39H;1-33H;1-35H;1-31H;2*1H4
InChIKeyBNUVEYIPMVNJTL-UHFFFAOYSA-N
XLogP59.39
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms223
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002917.82
LogP ≤ 559.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[benzo[a]thioxanthene-12,9'-fluorene]-3'-amine;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-3'-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-3'-amine
CID 162132227
N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 137493510
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)dibenzofuran-4-amine
CID 130260344
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-2'-amine
CID 166934032
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 130379438
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-9-amine;N,N-diphenyl-4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-9-ylaniline;N,4-diphenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-9-ylphenyl)aniline
CID 158976914
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730497

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine (CID 157406821) is N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine is C.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccc7ccccc7c64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccc6ccccc6c53)c3ccccc3-4)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?
The InChIKey is BNUVEYIPMVNJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS.C53H33NOS.C53H35NS.C47H31NS.2CH4/c1-3-13-40(14-4-1)42-23-31-47(32-24-42)60(48-33-25-43(26-34-48)41-15-5-2-6-16-41)49-35-27-44(28-36-49)46-29-37-52-51-19-9-10-20-53(51)59(55(52)39-46)54-21-11-12-22-56(54)61-57-38-30-45-17-7-8-18-50(45)58(57)59;1-2-14-37(15-3-1)54(47-22-12-19-43-42-18-7-10-23-48(42)55-52(43)47)38-29-25-34(26-30-38)36-27-31-41-40-17-6-8-20-44(40)53(46(41)33-36)45-21-9-11-24-49(45)56-50-32-28-35-13-4-5-16-39(35)51(50)53;1-3-14-36(15-4-1)38-26-31-41(32-27-38)54(42-33-28-39(29-34-42)37-16-5-2-6-17-37)48-24-13-21-45-44-20-9-10-22-46(44)53(51(45)48)47-23-11-12-25-49(47)55-50-35-30-40-18-7-8-19-43(40)52(50)53;1-3-14-32(15-4-1)33-26-29-36(30-27-33)48(35-17-5-2-6-18-35)42-24-13-21-39-38-20-9-10-22-40(38)47(45(39)42)41-23-11-12-25-43(41)49-44-31-28-34-16-7-8-19-37(34)46(44)47;;/h1-39H;1-33H;1-35H;1-31H;2*1H4.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?
N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine has a molecular weight of 2917.82 g/mol, XLogP of 59.39, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 157406821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).