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

C165H107N3OS3 — CID 162132227

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccc5ccccc5c43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccc5ccccc5c43)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccc4ccccc4c32)cc1
InChIInChI=1S/C59H39NS.C53H33NOS.C53H35NS/c1-4-16-40(17-5-1)42-28-32-46(33-29-42)60(55-36-30-45(41-18-6-2-7-19-41)38-50(55)43-20-8-3-9-21-43)47-34-35-53-51(39-47)49-24-12-13-25-52(49)59(53)54-26-14-15-27-56(54)61-57-37-31-44-22-10-11-23-48(44)58(57)59;1-2-14-36(15-3-1)54(37-28-25-35(26-29-37)40-19-12-20-43-42-18-7-10-23-48(42)55-52(40)43)38-30-31-46-44(33-38)41-17-6-8-21-45(41)53(46)47-22-9-11-24-49(47)56-50-32-27-34-13-4-5-16-39(34)51(50)53;1-3-15-36(16-4-1)37-27-30-40(31-28-37)54(49-25-13-10-20-42(49)38-17-5-2-6-18-38)41-32-33-47-45(35-41)44-22-9-11-23-46(44)53(47)48-24-12-14-26-50(48)55-51-34-29-39-19-7-8-21-43(39)52(51)53/h1-39H;1-33H;1-35H
InChIKeyZIUSLTFEJSEFGB-UHFFFAOYSA-N
MW2243.89 g/mol
LogP45.31
Rot. Bonds15

About 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

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 (PubChem CID 162132227) has the molecular formula C165H107N3OS3 and a molecular weight of 2243.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID162132227
Molecular FormulaC165H107N3OS3
Molecular Weight2243.89 g/mol
Exact Mass2241.76
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccc5ccccc5c43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccc5ccccc5c43)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccc4ccccc4c32)cc1
InChIInChI=1S/C59H39NS.C53H33NOS.C53H35NS/c1-4-16-40(17-5-1)42-28-32-46(33-29-42)60(55-36-30-45(41-18-6-2-7-19-41)38-50(55)43-20-8-3-9-21-43)47-34-35-53-51(39-47)49-24-12-13-25-52(49)59(53)54-26-14-15-27-56(54)61-57-37-31-44-22-10-11-23-48(44)58(57)59;1-2-14-36(15-3-1)54(37-28-25-35(26-29-37)40-19-12-20-43-42-18-7-10-23-48(42)55-52(40)43)38-30-31-46-44(33-38)41-17-6-8-21-45(41)53(46)47-22-9-11-24-49(47)56-50-32-27-34-13-4-5-16-39(34)51(50)53;1-3-15-36(16-4-1)37-27-30-40(31-28-37)54(49-25-13-10-20-42(49)38-17-5-2-6-18-38)41-32-33-47-45(35-41)44-22-9-11-23-46(44)53(47)48-24-12-14-26-50(48)55-51-34-29-39-19-7-8-21-43(39)52(51)53/h1-39H;1-33H;1-35H
InChIKeyZIUSLTFEJSEFGB-UHFFFAOYSA-N
XLogP45.31
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002243.89
LogP ≤ 545.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
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-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-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730828
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccc5ccccc5c43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccc5ccccc5c43)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccc4ccccc4c32)cc1.
What is the InChIKey of 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?
The InChIKey is ZIUSLTFEJSEFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS.C53H33NOS.C53H35NS/c1-4-16-40(17-5-1)42-28-32-46(33-29-42)60(55-36-30-45(41-18-6-2-7-19-41)38-50(55)43-20-8-3-9-21-43)47-34-35-53-51(39-47)49-24-12-13-25-52(49)59(53)54-26-14-15-27-56(54)61-57-37-31-44-22-10-11-23-48(44)58(57)59;1-2-14-36(15-3-1)54(37-28-25-35(26-29-37)40-19-12-20-43-42-18-7-10-23-48(42)55-52(40)43)38-30-31-46-44(33-38)41-17-6-8-21-45(41)53(46)47-22-9-11-24-49(47)56-50-32-27-34-13-4-5-16-39(34)51(50)53;1-3-15-36(16-4-1)37-27-30-40(31-28-37)54(49-25-13-10-20-42(49)38-17-5-2-6-18-38)41-32-33-47-45(35-41)44-22-9-11-23-46(44)53(47)48-24-12-14-26-50(48)55-51-34-29-39-19-7-8-21-43(39)52(51)53/h1-39H;1-33H;1-35H.
What are the key properties of 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?
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 has a molecular weight of 2243.89 g/mol, XLogP of 45.31, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162132227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).