N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine

C56H37NOS — CID 166844473

IUPACN-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C56H37NOS/c1-4-19-38(20-5-1)55(39-21-6-2-7-22-39)46-29-14-17-34-52(46)59-53-36-35-41(37-48(53)55)57(40-23-8-3-9-24-40)49-31-18-30-47-54(49)42-25-10-11-26-43(42)56(47)44-27-12-15-32-50(44)58-51-33-16-13-28-45(51)56/h1-37H
InChIKeyTZYGRDMBJMVVSO-UHFFFAOYSA-N
MW771.99 g/mol
LogP14.47
Rot. Bonds5

About N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine

N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 166844473) has the molecular formula C56H37NOS and a molecular weight of 771.99 g/mol. Its IUPAC name is N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID166844473
Molecular FormulaC56H37NOS
Molecular Weight771.99 g/mol
Exact Mass771.26
IUPAC NameN-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C56H37NOS/c1-4-19-38(20-5-1)55(39-21-6-2-7-22-39)46-29-14-17-34-52(46)59-53-36-35-41(37-48(53)55)57(40-23-8-3-9-24-40)49-31-18-30-47-54(49)42-25-10-11-26-43(42)56(47)44-27-12-15-32-50(44)58-51-33-16-13-28-45(51)56/h1-37H
InChIKeyTZYGRDMBJMVVSO-UHFFFAOYSA-N
XLogP14.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477465
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
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]-3'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477854
N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160801103
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-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475861
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine (CID 166844473) is N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is TZYGRDMBJMVVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NOS/c1-4-19-38(20-5-1)55(39-21-6-2-7-22-39)46-29-14-17-34-52(46)59-53-36-35-41(37-48(53)55)57(40-23-8-3-9-24-40)49-31-18-30-47-54(49)42-25-10-11-26-43(42)56(47)44-27-12-15-32-50(44)58-51-33-16-13-28-45(51)56/h1-37H.
What are the key properties of N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?
N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 771.99 g/mol, XLogP of 14.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 166844473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).