N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C194H121N3S6 — CID 159418135

IUPACN-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/2C66H41NS2.C62H39NS2/c1-2-19-46-42(17-1)18-15-22-47(46)43-35-37-44(38-36-43)67(45-39-40-49-48-20-3-5-23-51(48)66(58(49)41-45)55-27-9-13-33-62(55)69-63-34-14-10-28-56(63)66)59-30-16-29-57-64(59)50-21-4-6-24-52(50)65(57)53-25-7-11-31-60(53)68-61-32-12-8-26-54(61)65;1-2-17-44-40-45(33-32-42(44)16-1)43-34-36-46(37-35-43)67(47-38-39-49-48-18-3-5-20-51(48)66(58(49)41-47)55-24-9-13-30-62(55)69-63-31-14-10-25-56(63)66)59-27-15-26-57-64(59)50-19-4-6-21-52(50)65(57)53-22-7-11-28-60(53)68-61-29-12-8-23-54(61)65;1-2-19-40(20-3-1)42-21-6-13-31-54(42)63(41-37-38-44-43-22-4-7-24-46(43)62(53(44)39-41)50-28-11-16-35-58(50)65-59-36-17-12-29-51(59)62)55-32-18-30-52-60(55)45-23-5-8-25-47(45)61(52)48-26-9-14-33-56(48)64-57-34-15-10-27-49(57)61/h2*1-41H;1-39H
InChIKeyLPKQENIIZFXVSJ-UHFFFAOYSA-N
MW2686.52 g/mol
LogP51.74
Rot. Bonds12

About N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 159418135) has the molecular formula C194H121N3S6 and a molecular weight of 2686.52 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID159418135
Molecular FormulaC194H121N3S6
Molecular Weight2686.52 g/mol
Exact Mass2683.79
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/2C66H41NS2.C62H39NS2/c1-2-19-46-42(17-1)18-15-22-47(46)43-35-37-44(38-36-43)67(45-39-40-49-48-20-3-5-23-51(48)66(58(49)41-45)55-27-9-13-33-62(55)69-63-34-14-10-28-56(63)66)59-30-16-29-57-64(59)50-21-4-6-24-52(50)65(57)53-25-7-11-31-60(53)68-61-32-12-8-26-54(61)65;1-2-17-44-40-45(33-32-42(44)16-1)43-34-36-46(37-35-43)67(47-38-39-49-48-18-3-5-20-51(48)66(58(49)41-47)55-24-9-13-30-62(55)69-63-31-14-10-25-56(63)66)59-27-15-26-57-64(59)50-19-4-6-21-52(50)65(57)53-22-7-11-28-60(53)68-61-29-12-8-23-54(61)65;1-2-19-40(20-3-1)42-21-6-13-31-54(42)63(41-37-38-44-43-22-4-7-24-46(43)62(53(44)39-41)50-28-11-16-35-58(50)65-59-36-17-12-29-51(59)62)55-32-18-30-52-60(55)45-23-5-8-25-47(45)61(52)48-26-9-14-33-56(48)64-57-34-15-10-27-49(57)61/h2*1-41H;1-39H
InChIKeyLPKQENIIZFXVSJ-UHFFFAOYSA-N
XLogP51.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002686.52
LogP ≤ 551.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 159769520
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-10-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 161030964
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476524
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477675
N-(2,4-diphenylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 165015821
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
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
N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
CID 158578435
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477662
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine
CID 159393114
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 159418135) is N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is LPKQENIIZFXVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H41NS2.C62H39NS2/c1-2-19-46-42(17-1)18-15-22-47(46)43-35-37-44(38-36-43)67(45-39-40-49-48-20-3-5-23-51(48)66(58(49)41-45)55-27-9-13-33-62(55)69-63-34-14-10-28-56(63)66)59-30-16-29-57-64(59)50-21-4-6-24-52(50)65(57)53-25-7-11-31-60(53)68-61-32-12-8-26-54(61)65;1-2-17-44-40-45(33-32-42(44)16-1)43-34-36-46(37-35-43)67(47-38-39-49-48-18-3-5-20-51(48)66(58(49)41-47)55-24-9-13-30-62(55)69-63-31-14-10-25-56(63)66)59-27-15-26-57-64(59)50-19-4-6-21-52(50)65(57)53-22-7-11-28-60(53)68-61-29-12-8-23-54(61)65;1-2-19-40(20-3-1)42-21-6-13-31-54(42)63(41-37-38-44-43-22-4-7-24-46(43)62(53(44)39-41)50-28-11-16-35-58(50)65-59-36-17-12-29-51(59)62)55-32-18-30-52-60(55)45-23-5-8-25-47(45)61(52)48-26-9-14-33-56(48)64-57-34-15-10-27-49(57)61/h2*1-41H;1-39H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 2686.52 g/mol, XLogP of 51.74, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 159418135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).