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

C55H33NOS — CID 164794861

IUPACN-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C55H33NOS/c1-2-12-36-29-39(24-23-34(36)11-1)56(41-25-27-43-45-30-37-13-3-4-14-38(37)31-50(45)57-51(43)33-41)40-26-28-53-49(32-40)55(47-20-7-8-22-52(47)58-53)46-19-6-5-17-42(46)44-18-9-15-35-16-10-21-48(55)54(35)44/h1-33H
InChIKeyZSVBQJJNQUTBAB-UHFFFAOYSA-N
MW755.94 g/mol
LogP15.34
Rot. Bonds3

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

N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 164794861) 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]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID164794861
Molecular FormulaC55H33NOS
Molecular Weight755.94 g/mol
Exact Mass755.23
IUPAC NameN-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C55H33NOS/c1-2-12-36-29-39(24-23-34(36)11-1)56(41-25-27-43-45-30-37-13-3-4-14-38(37)31-50(45)57-51(43)33-41)40-26-28-53-49(32-40)55(47-20-7-8-22-52(47)58-53)46-19-6-5-17-42(46)44-18-9-15-35-16-10-21-48(55)54(35)44/h1-33H
InChIKeyZSVBQJJNQUTBAB-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-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
CID 164794814
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
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 164794305
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794037
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 164730931
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine (CID 164794861) is N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine is c1ccc2c(c1)Sc1ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is ZSVBQJJNQUTBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NOS/c1-2-12-36-29-39(24-23-34(36)11-1)56(41-25-27-43-45-30-37-13-3-4-14-38(37)31-50(45)57-51(43)33-41)40-26-28-53-49(32-40)55(47-20-7-8-22-52(47)58-53)46-19-6-5-17-42(46)44-18-9-15-35-16-10-21-48(55)54(35)44/h1-33H.
What are the key properties of N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine?
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-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]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 164794861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).