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

C216H132N4OS6 — CID 165058783

IUPACN-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
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)cc1.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)sc3c5ccccc5ccc43)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C55H33NOS.2C55H33NS2.C51H33NS/c1-3-17-39-34(12-1)14-11-24-49(39)56(38-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)57-50(42)33-38)37-28-31-52-48(32-37)55(46-22-7-8-25-51(46)58-52)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-47(55)53(36)43;1-3-17-39-34(12-1)14-11-24-49(39)56(38-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)58-52(42)33-38)37-28-31-51-48(32-37)55(46-22-7-8-25-50(46)57-51)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-47(55)53(36)43;1-2-14-37-31-52-44(30-36(37)13-1)42-28-26-39(33-53(42)58-52)56(49-24-11-15-34-12-3-4-18-40(34)49)38-27-29-51-48(32-38)55(46-22-7-8-25-50(46)57-51)45-21-6-5-19-41(45)43-20-9-16-35-17-10-23-47(55)54(35)43;1-3-15-34(16-4-1)42-31-36-17-7-8-18-37(36)32-47(42)52(38-21-5-2-6-22-38)39-29-30-49-46(33-39)51(44-26-11-12-28-48(44)53-49)43-25-10-9-23-40(43)41-24-13-19-35-20-14-27-45(51)50(35)41/h3*1-33H;1-33H
InChIKeyQVXVXVDPHJYDLQ-UHFFFAOYSA-N
MW2991.86 g/mol
LogP60.92
Rot. Bonds13

About 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

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 (PubChem CID 165058783) has the molecular formula C216H132N4OS6 and a molecular weight of 2991.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID165058783
Molecular FormulaC216H132N4OS6
Molecular Weight2991.86 g/mol
Exact Mass2988.87
IUPAC NameN-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
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)cc1.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)sc3c5ccccc5ccc43)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C55H33NOS.2C55H33NS2.C51H33NS/c1-3-17-39-34(12-1)14-11-24-49(39)56(38-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)57-50(42)33-38)37-28-31-52-48(32-37)55(46-22-7-8-25-51(46)58-52)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-47(55)53(36)43;1-3-17-39-34(12-1)14-11-24-49(39)56(38-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)58-52(42)33-38)37-28-31-51-48(32-37)55(46-22-7-8-25-50(46)57-51)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-47(55)53(36)43;1-2-14-37-31-52-44(30-36(37)13-1)42-28-26-39(33-53(42)58-52)56(49-24-11-15-34-12-3-4-18-40(34)49)38-27-29-51-48(32-38)55(46-22-7-8-25-50(46)57-51)45-21-6-5-19-41(45)43-20-9-16-35-17-10-23-47(55)54(35)43;1-3-15-34(16-4-1)42-31-36-17-7-8-18-37(36)32-47(42)52(38-21-5-2-6-22-38)39-29-30-49-46(33-39)51(44-26-11-12-28-48(44)53-49)43-25-10-9-23-40(43)41-24-13-19-35-20-14-27-45(51)50(35)41/h3*1-33H;1-33H
InChIKeyQVXVXVDPHJYDLQ-UHFFFAOYSA-N
XLogP60.92
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002991.86
LogP ≤ 560.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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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-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
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]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 164794305
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-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794895
N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 164992700
N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164793891
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-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 164794861
N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine
CID 157254590
3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-phenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 166960069

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)cc1.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)sc3c5ccccc5ccc43)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of 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?
The InChIKey is QVXVXVDPHJYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NOS.2C55H33NS2.C51H33NS/c1-3-17-39-34(12-1)14-11-24-49(39)56(38-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)57-50(42)33-38)37-28-31-52-48(32-37)55(46-22-7-8-25-51(46)58-52)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-47(55)53(36)43;1-3-17-39-34(12-1)14-11-24-49(39)56(38-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)58-52(42)33-38)37-28-31-51-48(32-37)55(46-22-7-8-25-50(46)57-51)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-47(55)53(36)43;1-2-14-37-31-52-44(30-36(37)13-1)42-28-26-39(33-53(42)58-52)56(49-24-11-15-34-12-3-4-18-40(34)49)38-27-29-51-48(32-38)55(46-22-7-8-25-50(46)57-51)45-21-6-5-19-41(45)43-20-9-16-35-17-10-23-47(55)54(35)43;1-3-15-34(16-4-1)42-31-36-17-7-8-18-37(36)32-47(42)52(38-21-5-2-6-22-38)39-29-30-49-46(33-39)51(44-26-11-12-28-48(44)53-49)43-25-10-9-23-40(43)41-24-13-19-35-20-14-27-45(51)50(35)41/h3*1-33H;1-33H.
What are the key properties of 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?
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 has a molecular weight of 2991.86 g/mol, XLogP of 60.92, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165058783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).