N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

C71H46N2S — CID 135166696

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1
InChIInChI=1S/C71H46N2S/c1-2-21-50(22-3-1)73-67-34-15-12-31-63(67)71(64-32-13-16-35-68(64)73)62-30-11-8-26-57(62)58-43-42-52(46-65(58)71)72(51-40-37-47(38-41-51)49-39-44-70-61(45-49)60-28-10-17-36-69(60)74-70)66-33-14-9-27-59(66)56-25-7-6-24-55(56)54-29-18-20-48-19-4-5-23-53(48)54/h1-46H
InChIKeyPTESXTZUHHQOFV-UHFFFAOYSA-N
MW959.23 g/mol
LogP19.82
Rot. Bonds7

About N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135166696) has the molecular formula C71H46N2S and a molecular weight of 959.23 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID135166696
Molecular FormulaC71H46N2S
Molecular Weight959.23 g/mol
Exact Mass958.34
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1
InChIInChI=1S/C71H46N2S/c1-2-21-50(22-3-1)73-67-34-15-12-31-63(67)71(64-32-13-16-35-68(64)73)62-30-11-8-26-57(62)58-43-42-52(46-65(58)71)72(51-40-37-47(38-41-51)49-39-44-70-61(45-49)60-28-10-17-36-69(60)74-70)66-33-14-9-27-59(66)56-25-7-6-24-55(56)54-29-18-20-48-19-4-5-23-53(48)54/h1-46H
InChIKeyPTESXTZUHHQOFV-UHFFFAOYSA-N
XLogP19.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.23
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166717
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166688
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166724
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 160984403
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166722
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 157340492
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[5-[3-[2'-(N-[2-(2-naphthalen-1-ylphenyl)phenyl]-3-phenylanilino)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155297035

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 135166696) is N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5ccccc5-c5ccccc5-c5cccc6ccccc56)cc43)c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is PTESXTZUHHQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2S/c1-2-21-50(22-3-1)73-67-34-15-12-31-63(67)71(64-32-13-16-35-68(64)73)62-30-11-8-26-57(62)58-43-42-52(46-65(58)71)72(51-40-37-47(38-41-51)49-39-44-70-61(45-49)60-28-10-17-36-69(60)74-70)66-33-14-9-27-59(66)56-25-7-6-24-55(56)54-29-18-20-48-19-4-5-23-53(48)54/h1-46H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 959.23 g/mol, XLogP of 19.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135166696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).