N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C62H39NOS — CID 164707025

IUPACN-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C62H39NOS/c1-2-16-40(17-3-1)41-30-32-42(33-31-41)63(43-34-36-58-55(38-43)61(53-26-12-14-28-57(53)64-58)49-22-8-4-18-45(49)46-19-5-9-23-50(46)61)44-35-37-60-56(39-44)62(54-27-13-15-29-59(54)65-60)51-24-10-6-20-47(51)48-21-7-11-25-52(48)62/h1-39H
InChIKeyZBHYFBXMMLJJBT-UHFFFAOYSA-N
MW846.07 g/mol
LogP16.12
Rot. Bonds4

About N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 164707025) has the molecular formula C62H39NOS and a molecular weight of 846.07 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID164707025
Molecular FormulaC62H39NOS
Molecular Weight846.07 g/mol
Exact Mass845.28
IUPAC NameN-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C62H39NOS/c1-2-16-40(17-3-1)41-30-32-42(33-31-41)63(43-34-36-58-55(38-43)61(53-26-12-14-28-57(53)64-58)49-22-8-4-18-45(49)46-19-5-9-23-50(46)61)44-35-37-60-56(39-44)62(54-27-13-15-29-59(54)65-60)51-24-10-6-20-47(51)48-21-7-11-25-52(48)62/h1-39H
InChIKeyZBHYFBXMMLJJBT-UHFFFAOYSA-N
XLogP16.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.07
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 161343629
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-7-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477388
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477727
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477200
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
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,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 164707025) is N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is ZBHYFBXMMLJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NOS/c1-2-16-40(17-3-1)41-30-32-42(33-31-41)63(43-34-36-58-55(38-43)61(53-26-12-14-28-57(53)64-58)49-22-8-4-18-45(49)46-19-5-9-23-50(46)61)44-35-37-60-56(39-44)62(54-27-13-15-29-59(54)65-60)51-24-10-6-20-47(51)48-21-7-11-25-52(48)62/h1-39H.
What are the key properties of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 846.07 g/mol, XLogP of 16.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 164707025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).