8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine

C56H37NOS — CID 155484331

IUPAC8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
SMILESc1ccc(C(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)ccc4c3c2)cc1
InChIInChI=1S/C56H37NOS/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)39-28-33-51-46(34-39)45-32-30-42(36-52(45)58-51)57(40-20-8-3-9-21-40)41-29-31-44-43-22-10-11-23-47(43)56(50(44)35-41)48-24-12-14-26-53(48)59-54-27-15-13-25-49(54)56/h1-36,55H
InChIKeyBOITYUKDSBBDNW-UHFFFAOYSA-N
MW771.99 g/mol
LogP15.06
Rot. Bonds6

About 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine

8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine (PubChem CID 155484331) has the molecular formula C56H37NOS and a molecular weight of 771.99 g/mol. Its IUPAC name is 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine.

Molecular Properties

Compound Name8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
PubChem CID155484331
Molecular FormulaC56H37NOS
Molecular Weight771.99 g/mol
Exact Mass771.26
IUPAC Name8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
SMILESc1ccc(C(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)ccc4c3c2)cc1
InChIInChI=1S/C56H37NOS/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)39-28-33-51-46(34-39)45-32-30-42(36-52(45)58-51)57(40-20-8-3-9-21-40)41-29-31-44-43-22-10-11-23-47(43)56(50(44)35-41)48-24-12-14-26-53(48)59-54-27-15-13-25-49(54)56/h1-36,55H
InChIKeyBOITYUKDSBBDNW-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
4-[phenyl-[6-(N-spiro[fluorene-9,9'-thioxanthene]-2-ylanilino)dibenzofuran-2-yl]methyl]benzonitrile
CID 155484529
8-fluoro-N,N-bis(4-fluorophenyl)-2-[phenyl(spiro[fluorene-9,9'-thioxanthene]-2-yl)methyl]dibenzofuran-3-amine
CID 155483566
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
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-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800
3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine
CID 155483192
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 159914253
9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
CID 155483400

Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
The IUPAC name of 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine (CID 155484331) is 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine.
What is the SMILES notation for 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
The canonical SMILES for 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine is c1ccc(C(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)ccc4c3c2)cc1.
What is the InChIKey of 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
The InChIKey is BOITYUKDSBBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NOS/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)39-28-33-51-46(34-39)45-32-30-42(36-52(45)58-51)57(40-20-8-3-9-21-40)41-29-31-44-43-22-10-11-23-47(43)56(50(44)35-41)48-24-12-14-26-53(48)59-54-27-15-13-25-49(54)56/h1-36,55H.
What are the key properties of 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine has a molecular weight of 771.99 g/mol, XLogP of 15.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine is sourced from PubChem (CID 155484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).