1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine

C56H36F2N2S2 — CID 155483587

IUPAC1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine
SMILESCc1ccc2c(c1)sc1c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc(N(c3ccc(F)cc3)c3ccc(F)cc3)c12
InChIInChI=1S/C56H36F2N2S2/c1-35-19-29-44-53(33-35)62-55-50(32-31-49(54(44)55)59(39-24-20-36(57)21-25-39)40-26-22-37(58)23-27-40)60(38-11-3-2-4-12-38)41-28-30-43-42-13-5-6-14-45(42)56(48(43)34-41)46-15-7-9-17-51(46)61-52-18-10-8-16-47(52)56/h2-34H,1H3
InChIKeyKHTLNNFZHADRCJ-UHFFFAOYSA-N
MW839.05 g/mol
LogP16.41
Rot. Bonds6

About 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine

1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine (PubChem CID 155483587) has the molecular formula C56H36F2N2S2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine
PubChem CID155483587
Molecular FormulaC56H36F2N2S2
Molecular Weight839.05 g/mol
Exact Mass838.23
IUPAC Name1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine
SMILESCc1ccc2c(c1)sc1c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc(N(c3ccc(F)cc3)c3ccc(F)cc3)c12
InChIInChI=1S/C56H36F2N2S2/c1-35-19-29-44-53(33-35)62-55-50(32-31-49(54(44)55)59(39-24-20-36(57)21-25-39)40-26-22-37(58)23-27-40)60(38-11-3-2-4-12-38)41-28-30-43-42-13-5-6-14-45(42)56(48(43)34-41)46-15-7-9-17-51(46)61-52-18-10-8-16-47(52)56/h2-34H,1H3
InChIKeyKHTLNNFZHADRCJ-UHFFFAOYSA-N
XLogP16.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine 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

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 146658904
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
4-N-cyclohexa-2,4-dien-1-yl-1-N,4-N-diphenyl-1-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzothiophene-1,4-diamine
CID 166958569
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-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568058
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine
CID 163492008
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine?
The IUPAC name of 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine (CID 155483587) is 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine?
The canonical SMILES for 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine is Cc1ccc2c(c1)sc1c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc(N(c3ccc(F)cc3)c3ccc(F)cc3)c12.
What is the InChIKey of 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine?
The InChIKey is KHTLNNFZHADRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36F2N2S2/c1-35-19-29-44-53(33-35)62-55-50(32-31-49(54(44)55)59(39-24-20-36(57)21-25-39)40-26-22-37(58)23-27-40)60(38-11-3-2-4-12-38)41-28-30-43-42-13-5-6-14-45(42)56(48(43)34-41)46-15-7-9-17-51(46)61-52-18-10-8-16-47(52)56/h2-34H,1H3.
What are the key properties of 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine?
1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine has a molecular weight of 839.05 g/mol, XLogP of 16.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(4-fluorophenyl)-7-methyl-4-N-phenyl-4-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzothiophene-1,4-diamine is sourced from PubChem (CID 155483587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).