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

C215H148N4S4 — CID 158976914

IUPACN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)Sc4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H43NS.C56H39NS.C53H35NS.C47H31NS/c1-57(2)47-21-11-7-17-41(47)45-29-26-37(33-52(45)57)60(38-27-30-46-42-18-8-12-22-48(42)58(3,4)53(46)34-38)39-28-31-51-55(35-39)61-54-32-25-36-15-5-6-16-40(36)56(54)59(51)49-23-13-9-19-43(49)44-20-10-14-24-50(44)59;1-55(2)46-24-12-8-21-42(46)45-31-29-38(34-50(45)55)57(51-27-15-11-19-40(51)36-16-4-3-5-17-36)39-30-32-49-53(35-39)58-52-33-28-37-18-6-7-20-41(37)54(52)56(49)47-25-13-9-22-43(47)44-23-10-14-26-48(44)56;1-3-13-36(14-4-1)37-23-29-42(30-24-37)54(41-16-5-2-6-17-41)43-31-25-38(26-32-43)40-27-33-49-51(35-40)55-50-34-28-39-15-7-8-18-44(39)52(50)53(49)47-21-11-9-19-45(47)46-20-10-12-22-48(46)53;1-3-14-35(15-4-1)48(36-16-5-2-6-17-36)37-27-23-32(24-28-37)34-25-29-43-45(31-34)49-44-30-26-33-13-7-8-18-38(33)46(44)47(43)41-21-11-9-19-39(41)40-20-10-12-22-42(40)47/h5-35H,1-4H3;3-35H,1-2H3;1-35H;1-31H
InChIKeyJOMVVKDSGZCUCZ-UHFFFAOYSA-N
MW2915.84 g/mol
LogP58.14
Rot. Bonds16

About 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

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 (PubChem CID 158976914) has the molecular formula C215H148N4S4 and a molecular weight of 2915.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID158976914
Molecular FormulaC215H148N4S4
Molecular Weight2915.84 g/mol
Exact Mass2913.06
IUPAC NameN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)Sc4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H43NS.C56H39NS.C53H35NS.C47H31NS/c1-57(2)47-21-11-7-17-41(47)45-29-26-37(33-52(45)57)60(38-27-30-46-42-18-8-12-22-48(42)58(3,4)53(46)34-38)39-28-31-51-55(35-39)61-54-32-25-36-15-5-6-16-40(36)56(54)59(51)49-23-13-9-19-43(49)44-20-10-14-24-50(44)59;1-55(2)46-24-12-8-21-42(46)45-31-29-38(34-50(45)55)57(51-27-15-11-19-40(51)36-16-4-3-5-17-36)39-30-32-49-53(35-39)58-52-33-28-37-18-6-7-20-41(37)54(52)56(49)47-25-13-9-22-43(47)44-23-10-14-26-48(44)56;1-3-13-36(14-4-1)37-23-29-42(30-24-37)54(41-16-5-2-6-17-41)43-31-25-38(26-32-43)40-27-33-49-51(35-40)55-50-34-28-39-15-7-8-18-44(39)52(50)53(49)47-21-11-9-19-45(47)46-20-10-12-22-48(46)53;1-3-14-35(15-4-1)48(36-16-5-2-6-17-36)37-27-23-32(24-28-37)34-25-29-43-45(31-34)49-44-30-26-33-13-7-8-18-38(33)46(44)47(43)41-21-11-9-19-39(41)40-20-10-12-22-42(40)47/h5-35H,1-4H3;3-35H,1-2H3;1-35H;1-31H
InChIKeyJOMVVKDSGZCUCZ-UHFFFAOYSA-N
XLogP58.14
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms223
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002915.84
LogP ≤ 558.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-N,3-N'-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N'-diphenylspiro[fluorene-9,9'-thioxanthene]-1,3'-diamine;N,N-bis(9,9-dimethylfluoren-2-yl)-3'-phenylspiro[fluorene-9,9'-thioxanthene]-1-amine;1-N,1-N,3-N'-tris(9,9-dimethylfluoren-2-yl)-3-N'-phenylspiro[fluorene-9,9'-thioxanthene]-1,3'-diamine
CID 157143133
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730805
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-2-amine
CID 167626753
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
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
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
CID 146333787
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 165052112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)Sc4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Sc3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is JOMVVKDSGZCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NS.C56H39NS.C53H35NS.C47H31NS/c1-57(2)47-21-11-7-17-41(47)45-29-26-37(33-52(45)57)60(38-27-30-46-42-18-8-12-22-48(42)58(3,4)53(46)34-38)39-28-31-51-55(35-39)61-54-32-25-36-15-5-6-16-40(36)56(54)59(51)49-23-13-9-19-43(49)44-20-10-14-24-50(44)59;1-55(2)46-24-12-8-21-42(46)45-31-29-38(34-50(45)55)57(51-27-15-11-19-40(51)36-16-4-3-5-17-36)39-30-32-49-53(35-39)58-52-33-28-37-18-6-7-20-41(37)54(52)56(49)47-25-13-9-22-43(47)44-23-10-14-26-48(44)56;1-3-13-36(14-4-1)37-23-29-42(30-24-37)54(41-16-5-2-6-17-41)43-31-25-38(26-32-43)40-27-33-49-51(35-40)55-50-34-28-39-15-7-8-18-44(39)52(50)53(49)47-21-11-9-19-45(47)46-20-10-12-22-48(46)53;1-3-14-35(15-4-1)48(36-16-5-2-6-17-36)37-27-23-32(24-28-37)34-25-29-43-45(31-34)49-44-30-26-33-13-7-8-18-38(33)46(44)47(43)41-21-11-9-19-39(41)40-20-10-12-22-42(40)47/h5-35H,1-4H3;3-35H,1-2H3;1-35H;1-31H.
What are the key properties of 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?
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 has a molecular weight of 2915.84 g/mol, XLogP of 58.14, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158976914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).