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

C62H39NOS — CID 138476285

IUPACN-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C62H39NOS/c1-2-18-40(19-3-1)41-36-38-42(39-37-41)63(53-30-17-29-52-59(53)45-21-5-7-24-47(45)61(52)48-25-8-12-32-55(48)64-56-33-13-9-26-49(56)61)54-31-16-22-44-43-20-4-6-23-46(43)62(60(44)54)50-27-10-14-34-57(50)65-58-35-15-11-28-51(58)62/h1-39H
InChIKeyCYCIHXOEKGNQRJ-UHFFFAOYSA-N
MW846.07 g/mol
LogP16.12
Rot. Bonds4

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

N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138476285) 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]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID138476285
Molecular FormulaC62H39NOS
Molecular Weight846.07 g/mol
Exact Mass845.28
IUPAC NameN-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C62H39NOS/c1-2-18-40(19-3-1)41-36-38-42(39-37-41)63(53-30-17-29-52-59(53)45-21-5-7-24-47(45)61(52)48-25-8-12-32-55(48)64-56-33-13-9-26-49(56)61)54-31-16-22-44-43-20-4-6-23-46(43)62(60(44)54)50-27-10-14-34-57(50)65-58-35-15-11-28-51(58)62/h1-39H
InChIKeyCYCIHXOEKGNQRJ-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]-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-[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[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477632
N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477586
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
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-[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-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine (CID 138476285) is N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is CYCIHXOEKGNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NOS/c1-2-18-40(19-3-1)41-36-38-42(39-37-41)63(53-30-17-29-52-59(53)45-21-5-7-24-47(45)61(52)48-25-8-12-32-55(48)64-56-33-13-9-26-49(56)61)54-31-16-22-44-43-20-4-6-23-46(43)62(60(44)54)50-27-10-14-34-57(50)65-58-35-15-11-28-51(58)62/h1-39H.
What are the key properties of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-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]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138476285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).