N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine

C56H37NOS — CID 157346106

IUPACN-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3Cc3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C56H37NOS/c1-2-15-37(16-3-1)42-18-5-6-19-43(42)38-29-31-40(32-30-38)57(41-33-34-45-44-20-7-11-26-52(44)58-53(45)36-41)51-25-14-24-48-46(51)35-39-17-4-8-21-47(39)56(48)49-22-9-12-27-54(49)59-55-28-13-10-23-50(55)56/h1-34,36H,35H2
InChIKeyYBTHANGIGCXVKX-UHFFFAOYSA-N
MW771.99 g/mol
LogP15.14
Rot. Bonds5

About N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine

N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine (PubChem CID 157346106) has the molecular formula C56H37NOS and a molecular weight of 771.99 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine
PubChem CID157346106
Molecular FormulaC56H37NOS
Molecular Weight771.99 g/mol
Exact Mass771.26
IUPAC NameN-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3Cc3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C56H37NOS/c1-2-15-37(16-3-1)42-18-5-6-19-43(42)38-29-31-40(32-30-38)57(41-33-34-45-44-20-7-11-26-52(44)58-53(45)36-41)51-25-14-24-48-46(51)35-39-17-4-8-21-47(39)56(48)49-22-9-12-27-54(49)59-55-28-13-10-23-50(55)56/h1-34,36H,35H2
InChIKeyYBTHANGIGCXVKX-UHFFFAOYSA-N
XLogP15.14
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine
CID 159825617
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476102
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine (CID 157346106) is N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3Cc3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine?
The InChIKey is YBTHANGIGCXVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NOS/c1-2-15-37(16-3-1)42-18-5-6-19-43(42)38-29-31-40(32-30-38)57(41-33-34-45-44-20-7-11-26-52(44)58-53(45)36-41)51-25-14-24-48-46(51)35-39-17-4-8-21-47(39)56(48)49-22-9-12-27-54(49)59-55-28-13-10-23-50(55)56/h1-34,36H,35H2.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine?
N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine has a molecular weight of 771.99 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine is sourced from PubChem (CID 157346106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).