N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine

C53H33NS — CID 172544718

IUPACN-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2sc2ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C53H33NS/c1-2-18-35-34(16-1)17-13-24-36(35)39-21-6-11-30-47(39)54(49-32-14-25-41-40-22-7-12-33-50(40)55-52(41)49)48-31-15-29-46-51(48)42-23-5-10-28-45(42)53(46)43-26-8-3-19-37(43)38-20-4-9-27-44(38)53/h1-33H
InChIKeyRGCLYAWHAUONEY-UHFFFAOYSA-N
MW715.92 g/mol
LogP14.69
Rot. Bonds4

About N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine

N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine (PubChem CID 172544718) has the molecular formula C53H33NS and a molecular weight of 715.92 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
PubChem CID172544718
Molecular FormulaC53H33NS
Molecular Weight715.92 g/mol
Exact Mass715.23
IUPAC NameN-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2sc2ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C53H33NS/c1-2-18-35-34(16-1)17-13-24-36(35)39-21-6-11-30-47(39)54(49-32-14-25-41-40-22-7-12-33-50(40)55-52(41)49)48-31-15-29-46-51(48)42-23-5-10-28-45(42)53(46)43-26-8-3-19-37(43)38-20-4-9-27-44(38)53/h1-33H
InChIKeyRGCLYAWHAUONEY-UHFFFAOYSA-N
XLogP14.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.92
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-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-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166417
N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444444
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-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 159999879
N-phenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-4-amine
CID 138568311
N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine
CID 172545003
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-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775342
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine (CID 172544718) is N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine is c1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2sc2ccccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The InChIKey is RGCLYAWHAUONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS/c1-2-18-35-34(16-1)17-13-24-36(35)39-21-6-11-30-47(39)54(49-32-14-25-41-40-22-7-12-33-50(40)55-52(41)49)48-31-15-29-46-51(48)42-23-5-10-28-45(42)53(46)43-26-8-3-19-37(43)38-20-4-9-27-44(38)53/h1-33H.
What are the key properties of N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine has a molecular weight of 715.92 g/mol, XLogP of 14.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 172544718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).