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

C204H153N5S3 — CID 157143133

IUPAC1-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C3(c5ccccc5Sc5cc(-c6ccccc6)ccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21
InChIInChI=1S/C76H58N2S.C67H50N2S.C61H45NS/c1-73(2)60-28-14-10-23-52(60)56-39-35-48(43-66(56)73)77(47-21-8-7-9-22-47)51-38-42-65-71(46-51)79-70-34-19-18-32-64(70)76(65)63-31-17-13-26-55(63)59-27-20-33-69(72(59)76)78(49-36-40-57-53-24-11-15-29-61(53)74(3,4)67(57)44-49)50-37-41-58-54-25-12-16-30-62(54)75(5,6)68(58)45-50;1-65(2)54-28-14-11-24-48(54)51-37-34-45(40-59(51)65)68(43-20-7-5-8-21-43)47-36-39-58-63(42-47)70-62-33-18-17-31-57(62)67(58)56-30-16-13-26-50(56)53-27-19-32-61(64(53)67)69(44-22-9-6-10-23-44)46-35-38-52-49-25-12-15-29-55(49)66(3,4)60(52)41-46;1-59(2)48-23-11-8-19-42(48)45-32-30-40(36-53(45)59)62(41-31-33-46-43-20-9-12-24-49(43)60(3,4)54(46)37-41)55-27-16-22-47-44-21-10-13-25-50(44)61(58(47)55)51-26-14-15-28-56(51)63-57-35-39(29-34-52(57)61)38-17-6-5-7-18-38/h7-46H,1-6H3;5-42H,1-4H3;5-37H,1-4H3
InChIKeyAKKFPEDQEZVDEC-UHFFFAOYSA-N
MW2770.70 g/mol
LogP54.70
Rot. Bonds16

About 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

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 (PubChem CID 157143133) has the molecular formula C204H153N5S3 and a molecular weight of 2770.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157143133
Molecular FormulaC204H153N5S3
Molecular Weight2770.70 g/mol
Exact Mass2768.13
IUPAC Name1-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C3(c5ccccc5Sc5cc(-c6ccccc6)ccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21
InChIInChI=1S/C76H58N2S.C67H50N2S.C61H45NS/c1-73(2)60-28-14-10-23-52(60)56-39-35-48(43-66(56)73)77(47-21-8-7-9-22-47)51-38-42-65-71(46-51)79-70-34-19-18-32-64(70)76(65)63-31-17-13-26-55(63)59-27-20-33-69(72(59)76)78(49-36-40-57-53-24-11-15-29-61(53)74(3,4)67(57)44-49)50-37-41-58-54-25-12-16-30-62(54)75(5,6)68(58)45-50;1-65(2)54-28-14-11-24-48(54)51-37-34-45(40-59(51)65)68(43-20-7-5-8-21-43)47-36-39-58-63(42-47)70-62-33-18-17-31-57(62)67(58)56-30-16-13-26-50(56)53-27-19-32-61(64(53)67)69(44-22-9-6-10-23-44)46-35-38-52-49-25-12-15-29-55(49)66(3,4)60(52)41-46;1-59(2)48-23-11-8-19-42(48)45-32-30-40(36-53(45)59)62(41-31-33-46-43-20-9-12-24-49(43)60(3,4)54(46)37-41)55-27-16-22-47-44-21-10-13-25-50(44)61(58(47)55)51-26-14-15-28-56(51)63-57-35-39(29-34-52(57)61)38-17-6-5-7-18-38/h7-46H,1-6H3;5-42H,1-4H3;5-37H,1-4H3
InChIKeyAKKFPEDQEZVDEC-UHFFFAOYSA-N
XLogP54.70
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002770.70
LogP ≤ 554.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
CID 146333787
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
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-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-[3-(9,9-dimethylthioxanthen-3-yl)phenyl]-N-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 166679241
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1'-amine
CID 167290013
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-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
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-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C3(c5ccccc5Sc5cc(-c6ccccc6)ccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.
What is the InChIKey of 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?
The InChIKey is AKKFPEDQEZVDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H58N2S.C67H50N2S.C61H45NS/c1-73(2)60-28-14-10-23-52(60)56-39-35-48(43-66(56)73)77(47-21-8-7-9-22-47)51-38-42-65-71(46-51)79-70-34-19-18-32-64(70)76(65)63-31-17-13-26-55(63)59-27-20-33-69(72(59)76)78(49-36-40-57-53-24-11-15-29-61(53)74(3,4)67(57)44-49)50-37-41-58-54-25-12-16-30-62(54)75(5,6)68(58)45-50;1-65(2)54-28-14-11-24-48(54)51-37-34-45(40-59(51)65)68(43-20-7-5-8-21-43)47-36-39-58-63(42-47)70-62-33-18-17-31-57(62)67(58)56-30-16-13-26-50(56)53-27-19-32-61(64(53)67)69(44-22-9-6-10-23-44)46-35-38-52-49-25-12-15-29-55(49)66(3,4)60(52)41-46;1-59(2)48-23-11-8-19-42(48)45-32-30-40(36-53(45)59)62(41-31-33-46-43-20-9-12-24-49(43)60(3,4)54(46)37-41)55-27-16-22-47-44-21-10-13-25-50(44)61(58(47)55)51-26-14-15-28-56(51)63-57-35-39(29-34-52(57)61)38-17-6-5-7-18-38/h7-46H,1-6H3;5-42H,1-4H3;5-37H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2770.70 g/mol, XLogP of 54.70, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157143133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).