N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine

C55H33NOS — CID 164794305

IUPACN-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc1c23
InChIInChI=1S/C55H33NOS/c1-2-14-36-32-37(26-24-34(36)12-1)56(38-27-29-41-43-28-25-35-13-3-4-15-39(35)54(43)57-50(41)33-38)49-31-30-42-40-16-5-6-18-45(40)55(48-21-11-17-44(49)53(42)48)46-19-7-9-22-51(46)58-52-23-10-8-20-47(52)55/h1-33H
InChIKeyQURYZFWTGRLYSJ-UHFFFAOYSA-N
MW755.94 g/mol
LogP15.34
Rot. Bonds3

About N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine

N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 164794305) has the molecular formula C55H33NOS and a molecular weight of 755.94 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID164794305
Molecular FormulaC55H33NOS
Molecular Weight755.94 g/mol
Exact Mass755.23
IUPAC NameN-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc1c23
InChIInChI=1S/C55H33NOS/c1-2-14-36-32-37(26-24-34(36)12-1)56(38-27-29-41-43-28-25-35-13-3-4-15-39(35)54(43)57-50(41)33-38)49-31-30-42-40-16-5-6-18-45(40)55(48-21-11-17-44(49)53(42)48)46-19-7-9-22-51(46)58-52-23-10-8-20-47(52)55/h1-33H
InChIKeyQURYZFWTGRLYSJ-UHFFFAOYSA-N
XLogP15.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.94
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-naphtho[2,3-b][1]benzothiol-3-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine;N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[1,2-b][1]benzofuran-9-amine;N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 165030242
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 164794861
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794531
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
CID 164794849
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine;N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzothiol-3-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine;N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[1,2-b][1]benzofuran-9-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 165058783
7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine
CID 118633764
N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164793891
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
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-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
CID 165022027
9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170675659

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine (CID 164794305) is N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc1c23.
What is the InChIKey of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is QURYZFWTGRLYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NOS/c1-2-14-36-32-37(26-24-34(36)12-1)56(38-27-29-41-43-28-25-35-13-3-4-15-39(35)54(43)57-50(41)33-38)49-31-30-42-40-16-5-6-18-45(40)55(48-21-11-17-44(49)53(42)48)46-19-7-9-22-51(46)58-52-23-10-8-20-47(52)55/h1-33H.
What are the key properties of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 755.94 g/mol, XLogP of 15.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 164794305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).