N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine

C46H33NS2 — CID 163492008

IUPACN-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21
InChIInChI=1S/C46H33NS2/c1-45(2)34-19-7-9-21-36(34)46(37-22-10-8-20-35(37)45)38-23-11-13-26-42(38)48-43-28-27-31(29-39(43)46)47(30-15-4-3-5-16-30)40-24-14-18-33-32-17-6-12-25-41(32)49-44(33)40/h3-29H,1-2H3
InChIKeyCNLDULATKBUZOV-UHFFFAOYSA-N
MW663.91 g/mol
LogP13.01
Rot. Bonds3

About N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine

N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine (PubChem CID 163492008) has the molecular formula C46H33NS2 and a molecular weight of 663.91 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine
PubChem CID163492008
Molecular FormulaC46H33NS2
Molecular Weight663.91 g/mol
Exact Mass663.21
IUPAC NameN-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21
InChIInChI=1S/C46H33NS2/c1-45(2)34-19-7-9-21-36(34)46(37-22-10-8-20-35(37)45)38-23-11-13-26-42(38)48-43-28-27-31(29-39(43)46)47(30-15-4-3-5-16-30)40-24-14-18-33-32-17-6-12-25-41(32)49-44(33)40/h3-29H,1-2H3
InChIKeyCNLDULATKBUZOV-UHFFFAOYSA-N
XLogP13.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.91
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-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

N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
5-N,16-N-di(dibenzothiophen-4-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633739
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-bis(3,5-difluorophenyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2',7'-diamine
CID 163701343
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
2-N'-dibenzothiophen-4-yl-2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791436
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
2-N-dibenzothiophen-4-yl-4-N-(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenylphenoxathiine-2,4-diamine
CID 159535140
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
5-N-dibenzothiophen-4-yl-8,8-dimethyl-5-N,16-N,20-triphenyl-16-N-(6-phenyldibenzothiophen-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633744
N-[4-phenyl-3-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 168788810
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine?
The IUPAC name of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine (CID 163492008) is N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine is CC1(C)c2ccccc2C2(c3ccccc3Sc3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21.
What is the InChIKey of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine?
The InChIKey is CNLDULATKBUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33NS2/c1-45(2)34-19-7-9-21-36(34)46(37-22-10-8-20-35(37)45)38-23-11-13-26-42(38)48-43-28-27-31(29-39(43)46)47(30-15-4-3-5-16-30)40-24-14-18-33-32-17-6-12-25-41(32)49-44(33)40/h3-29H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine?
N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine has a molecular weight of 663.91 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-thioxanthene]-2'-amine is sourced from PubChem (CID 163492008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).