N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine

C53H31NS2 — CID 171444444

IUPACN-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4c3sc3ccccc34)c3cc4ccccc4c4c3sc3ccccc34)cccc21
InChIInChI=1S/C53H31NS2/c1-2-16-33-32(15-1)31-46(52-49(33)39-21-7-12-30-48(39)56-52)54(45-28-13-22-37-36-19-6-11-29-47(36)55-51(37)45)44-27-14-26-43-50(44)38-20-5-10-25-42(38)53(43)40-23-8-3-17-34(40)35-18-4-9-24-41(35)53/h1-31H
InChIKeyWFYJLVPETRXGGN-UHFFFAOYSA-N
MW745.97 g/mol
LogP15.39
Rot. Bonds3

About N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine

N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine (PubChem CID 171444444) has the molecular formula C53H31NS2 and a molecular weight of 745.97 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
PubChem CID171444444
Molecular FormulaC53H31NS2
Molecular Weight745.97 g/mol
Exact Mass745.19
IUPAC NameN-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4c3sc3ccccc34)c3cc4ccccc4c4c3sc3ccccc34)cccc21
InChIInChI=1S/C53H31NS2/c1-2-16-33-32(15-1)31-46(52-49(33)39-21-7-12-30-48(39)56-52)54(45-28-13-22-37-36-19-6-11-29-47(36)55-51(37)45)44-27-14-26-43-50(44)38-20-5-10-25-42(38)53(43)40-23-8-3-17-34(40)35-18-4-9-24-41(35)53/h1-31H
InChIKeyWFYJLVPETRXGGN-UHFFFAOYSA-N
XLogP15.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-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-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544718
N-[3-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444423
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775342
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444456
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 166028578
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789279
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine (CID 171444444) is N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4c3sc3ccccc34)c3cc4ccccc4c4c3sc3ccccc34)cccc21.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The InChIKey is WFYJLVPETRXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31NS2/c1-2-16-33-32(15-1)31-46(52-49(33)39-21-7-12-30-48(39)56-52)54(45-28-13-22-37-36-19-6-11-29-47(36)55-51(37)45)44-27-14-26-43-50(44)38-20-5-10-25-42(38)53(43)40-23-8-3-17-34(40)35-18-4-9-24-41(35)53/h1-31H.
What are the key properties of N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine has a molecular weight of 745.97 g/mol, XLogP of 15.39, 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-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine is sourced from PubChem (CID 171444444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).