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

C194H121N3O3S3 — CID 159769520

IUPACN-(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
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21
InChIInChI=1S/2C66H41NOS.C62H39NOS/c1-2-19-46-42(17-1)18-15-22-47(46)43-35-37-44(38-36-43)67(45-39-40-53-50(41-45)48-20-3-5-23-51(48)65(53)54-25-7-11-31-60(54)68-61-32-12-8-26-55(61)65)59-30-16-29-58-64(59)49-21-4-6-24-52(49)66(58)56-27-9-13-33-62(56)69-63-34-14-10-28-57(63)66;1-2-17-44-40-45(33-32-42(44)16-1)43-34-36-46(37-35-43)67(47-38-39-53-50(41-47)48-18-3-5-20-51(48)65(53)54-22-7-11-28-60(54)68-61-29-12-8-23-55(61)65)59-27-15-26-58-64(59)49-19-4-6-21-52(49)66(58)56-24-9-13-30-62(56)69-63-31-14-10-25-57(63)66;1-2-19-40(20-3-1)42-21-6-13-31-54(42)63(41-37-38-48-45(39-41)43-22-4-7-24-46(43)61(48)49-26-9-14-33-56(49)64-57-34-15-10-27-50(57)61)55-32-18-30-53-60(55)44-23-5-8-25-47(44)62(53)51-28-11-16-35-58(51)65-59-36-17-12-29-52(59)62/h2*1-41H;1-39H
InChIKeyNFXZTKHIWOWNFQ-UHFFFAOYSA-N
MW2638.32 g/mol
LogP50.67
Rot. Bonds12

About 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

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 (PubChem CID 159769520) has the molecular formula C194H121N3O3S3 and a molecular weight of 2638.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159769520
Molecular FormulaC194H121N3O3S3
Molecular Weight2638.32 g/mol
Exact Mass2635.86
IUPAC NameN-(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
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21
InChIInChI=1S/2C66H41NOS.C62H39NOS/c1-2-19-46-42(17-1)18-15-22-47(46)43-35-37-44(38-36-43)67(45-39-40-53-50(41-45)48-20-3-5-23-51(48)65(53)54-25-7-11-31-60(54)68-61-32-12-8-26-55(61)65)59-30-16-29-58-64(59)49-21-4-6-24-52(49)66(58)56-27-9-13-33-62(56)69-63-34-14-10-28-57(63)66;1-2-17-44-40-45(33-32-42(44)16-1)43-34-36-46(37-35-43)67(47-38-39-53-50(41-47)48-18-3-5-20-51(48)65(53)54-22-7-11-28-60(54)68-61-29-12-8-23-55(61)65)59-27-15-26-58-64(59)49-19-4-6-21-52(49)66(58)56-24-9-13-30-62(56)69-63-31-14-10-25-57(63)66;1-2-19-40(20-3-1)42-21-6-13-31-54(42)63(41-37-38-48-45(39-41)43-22-4-7-24-46(43)61(48)49-26-9-14-33-56(49)64-57-34-15-10-27-50(57)61)55-32-18-30-53-60(55)44-23-5-8-25-47(44)62(53)51-28-11-16-35-58(51)65-59-36-17-12-29-52(59)62/h2*1-41H;1-39H
InChIKeyNFXZTKHIWOWNFQ-UHFFFAOYSA-N
XLogP50.67
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002638.32
LogP ≤ 550.67
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'-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 with MolForge

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Related Compounds

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
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
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-[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-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477059
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477854
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 159817922
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
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-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476524

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'-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.
What is the InChIKey of 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?
The InChIKey is NFXZTKHIWOWNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H41NOS.C62H39NOS/c1-2-19-46-42(17-1)18-15-22-47(46)43-35-37-44(38-36-43)67(45-39-40-53-50(41-45)48-20-3-5-23-51(48)65(53)54-25-7-11-31-60(54)68-61-32-12-8-26-55(61)65)59-30-16-29-58-64(59)49-21-4-6-24-52(49)66(58)56-27-9-13-33-62(56)69-63-34-14-10-28-57(63)66;1-2-17-44-40-45(33-32-42(44)16-1)43-34-36-46(37-35-43)67(47-38-39-53-50(41-47)48-18-3-5-20-51(48)65(53)54-22-7-11-28-60(54)68-61-29-12-8-23-55(61)65)59-27-15-26-58-64(59)49-19-4-6-21-52(49)66(58)56-24-9-13-30-62(56)69-63-31-14-10-25-57(63)66;1-2-19-40(20-3-1)42-21-6-13-31-54(42)63(41-37-38-48-45(39-41)43-22-4-7-24-46(43)61(48)49-26-9-14-33-56(49)64-57-34-15-10-27-50(57)61)55-32-18-30-53-60(55)44-23-5-8-25-47(44)62(53)51-28-11-16-35-58(51)65-59-36-17-12-29-52(59)62/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'-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?
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 has a molecular weight of 2638.32 g/mol, XLogP of 50.67, 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'-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 is sourced from PubChem (CID 159769520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).