N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine

C214H144N4S8 — CID 163669612

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)ccc21.CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)c21
InChIInChI=1S/C58H39NS2.3C52H35NS2/c1-57(2)44-22-9-6-20-39(44)41-33-37(31-32-45(41)57)59(50-26-13-8-19-38(50)36-17-4-3-5-18-36)51-27-16-30-54-56(51)43-34-42-40-21-7-10-23-46(40)58(49(42)35-55(43)61-54)47-24-11-14-28-52(47)60-53-29-15-12-25-48(53)58;1-51(2)37-20-8-7-19-34(37)49-41(51)24-14-25-43(49)53(32-16-4-3-5-17-32)44-26-15-29-47-50(44)36-30-35-33-18-6-9-21-38(33)52(42(35)31-48(36)55-47)39-22-10-12-27-45(39)54-46-28-13-11-23-40(46)52;1-51(2)38-21-8-6-18-33(38)35-20-14-26-44(50(35)51)53(32-16-4-3-5-17-32)43-25-15-29-47-49(43)37-30-36-34-19-7-9-22-39(34)52(42(36)31-48(37)55-47)40-23-10-12-27-45(40)54-46-28-13-11-24-41(46)52;1-51(2)39-19-8-6-17-34(39)36-29-33(27-28-40(36)51)53(32-15-4-3-5-16-32)45-23-14-26-48-50(45)38-30-37-35-18-7-9-20-41(35)52(44(37)31-49(38)55-48)42-21-10-12-24-46(42)54-47-25-13-11-22-43(47)52/h3-35H,1-2H3;3*3-31H,1-2H3
InChIKeyJBJGNKDAGSBWHP-UHFFFAOYSA-N
MW3028.07 g/mol
LogP60.30
Rot. Bonds13

About N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine

N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine (PubChem CID 163669612) has the molecular formula C214H144N4S8 and a molecular weight of 3028.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
PubChem CID163669612
Molecular FormulaC214H144N4S8
Molecular Weight3028.07 g/mol
Exact Mass3024.92
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)ccc21.CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)c21
InChIInChI=1S/C58H39NS2.3C52H35NS2/c1-57(2)44-22-9-6-20-39(44)41-33-37(31-32-45(41)57)59(50-26-13-8-19-38(50)36-17-4-3-5-18-36)51-27-16-30-54-56(51)43-34-42-40-21-7-10-23-46(40)58(49(42)35-55(43)61-54)47-24-11-14-28-52(47)60-53-29-15-12-25-48(53)58;1-51(2)37-20-8-7-19-34(37)49-41(51)24-14-25-43(49)53(32-16-4-3-5-17-32)44-26-15-29-47-50(44)36-30-35-33-18-6-9-21-38(33)52(42(35)31-48(36)55-47)39-22-10-12-27-45(39)54-46-28-13-11-23-40(46)52;1-51(2)38-21-8-6-18-33(38)35-20-14-26-44(50(35)51)53(32-16-4-3-5-17-32)43-25-15-29-47-49(43)37-30-36-34-19-7-9-22-39(34)52(42(36)31-48(37)55-47)40-23-10-12-27-45(40)54-46-28-13-11-24-41(46)52;1-51(2)39-19-8-6-17-34(39)36-29-33(27-28-40(36)51)53(32-15-4-3-5-16-32)45-23-14-26-48-50(45)38-30-37-35-18-7-9-20-41(35)52(44(37)31-49(38)55-48)42-21-10-12-24-46(42)54-47-25-13-11-22-43(47)52/h3-35H,1-2H3;3*3-31H,1-2H3
InChIKeyJBJGNKDAGSBWHP-UHFFFAOYSA-N
XLogP60.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003028.07
LogP ≤ 560.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-amine;N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-1-yl)spiro[fluorene-9,9'-thioxanthene]-2'-amine;N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)dibenzofuran-1-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine
CID 160868113
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 170119312
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463375
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170140757
N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 139568348
9-chloro-N-(9,9-dimethylfluoren-3-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-1-amine
CID 166659279
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002
N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167177633
9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 162771521
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine (CID 163669612) is N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)ccc21.CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Sc4ccccc43)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine?
The InChIKey is JBJGNKDAGSBWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS2.3C52H35NS2/c1-57(2)44-22-9-6-20-39(44)41-33-37(31-32-45(41)57)59(50-26-13-8-19-38(50)36-17-4-3-5-18-36)51-27-16-30-54-56(51)43-34-42-40-21-7-10-23-46(40)58(49(42)35-55(43)61-54)47-24-11-14-28-52(47)60-53-29-15-12-25-48(53)58;1-51(2)37-20-8-7-19-34(37)49-41(51)24-14-25-43(49)53(32-16-4-3-5-17-32)44-26-15-29-47-50(44)36-30-35-33-18-6-9-21-38(33)52(42(35)31-48(36)55-47)39-22-10-12-27-45(39)54-46-28-13-11-23-40(46)52;1-51(2)38-21-8-6-18-33(38)35-20-14-26-44(50(35)51)53(32-16-4-3-5-17-32)43-25-15-29-47-49(43)37-30-36-34-19-7-9-22-39(34)52(42(36)31-48(37)55-47)40-23-10-12-27-45(40)54-46-28-13-11-24-41(46)52;1-51(2)39-19-8-6-17-34(39)36-29-33(27-28-40(36)51)53(32-15-4-3-5-16-32)45-23-14-26-48-50(45)38-30-37-35-18-7-9-20-41(35)52(44(37)31-49(38)55-48)42-21-10-12-24-46(42)54-47-25-13-11-22-43(47)52/h3-35H,1-2H3;3*3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine has a molecular weight of 3028.07 g/mol, XLogP of 60.30, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine is sourced from PubChem (CID 163669612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).