N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine

C66H41NOS — CID 138476782

IUPACN-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C66H41NOS/c1-2-20-42(21-3-1)43-40-41-56(45-23-5-4-22-44(43)45)67(57-34-18-32-54-63(57)46-24-6-8-26-48(46)65(54)50-28-10-14-36-59(50)68-60-37-15-11-29-51(60)65)58-35-19-33-55-64(58)47-25-7-9-27-49(47)66(55)52-30-12-16-38-61(52)69-62-39-17-13-31-53(62)66/h1-41H
InChIKeyOSTUDSFEAGQLKL-UHFFFAOYSA-N
MW896.13 g/mol
LogP17.27
Rot. Bonds4

About N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine

N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138476782) has the molecular formula C66H41NOS and a molecular weight of 896.13 g/mol. Its IUPAC name is N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID138476782
Molecular FormulaC66H41NOS
Molecular Weight896.13 g/mol
Exact Mass895.29
IUPAC NameN-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C66H41NOS/c1-2-20-42(21-3-1)43-40-41-56(45-23-5-4-22-44(43)45)67(57-34-18-32-54-63(57)46-24-6-8-26-48(46)65(54)50-28-10-14-36-59(50)68-60-37-15-11-29-51(60)65)58-35-19-33-55-64(58)47-25-7-9-27-49(47)66(55)52-30-12-16-38-61(52)69-62-39-17-13-31-53(62)66/h1-41H
InChIKeyOSTUDSFEAGQLKL-UHFFFAOYSA-N
XLogP17.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.13
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523
N-(2-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-5-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477603
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477059
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476285
N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477055
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477854
N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477586
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476846

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine (CID 138476782) is N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccccc23)cc1.
What is the InChIKey of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is OSTUDSFEAGQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NOS/c1-2-20-42(21-3-1)43-40-41-56(45-23-5-4-22-44(43)45)67(57-34-18-32-54-63(57)46-24-6-8-26-48(46)65(54)50-28-10-14-36-59(50)68-60-37-15-11-29-51(60)65)58-35-19-33-55-64(58)47-25-7-9-27-49(47)66(55)52-30-12-16-38-61(52)69-62-39-17-13-31-53(62)66/h1-41H.
What are the key properties of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine?
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 896.13 g/mol, XLogP of 17.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138476782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).