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

C204H123N3O3S6 — CID 163426378

IUPACN-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/3C68H41NOS2/c1-3-19-42(20-4-1)67(43-21-5-2-6-22-43)52-27-10-7-23-45(52)47-38-37-44(39-56(47)67)69(59-32-17-26-49-48-25-9-14-33-60(48)70-66(49)59)58-31-18-36-63-65(58)51-40-50-46-24-8-11-28-53(46)68(57(50)41-64(51)72-63)54-29-12-15-34-61(54)71-62-35-16-13-30-55(62)68;1-3-18-42(19-4-1)67(43-20-5-2-6-21-43)53-25-10-7-22-46(53)48-36-34-45(39-57(48)67)69(44-35-37-61-51(38-44)49-24-9-14-30-60(49)70-61)59-29-17-33-64-66(59)52-40-50-47-23-8-11-26-54(47)68(58(50)41-65(52)72-64)55-27-12-15-31-62(55)71-63-32-16-13-28-56(63)68;1-3-18-42(19-4-1)67(43-20-5-2-6-21-43)53-25-10-7-22-46(53)48-36-34-44(38-57(48)67)69(45-35-37-50-49-24-9-14-30-60(49)70-61(50)39-45)59-29-17-33-64-66(59)52-40-51-47-23-8-11-26-54(47)68(58(51)41-65(52)72-64)55-27-12-15-31-62(55)71-63-32-16-13-28-56(63)68/h3*1-41H
InChIKeyAMWNMDIVIQGMBB-UHFFFAOYSA-N
MW2856.65 g/mol
LogP55.84
Rot. Bonds15

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

N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine (PubChem CID 163426378) has the molecular formula C204H123N3O3S6 and a molecular weight of 2856.65 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
PubChem CID163426378
Molecular FormulaC204H123N3O3S6
Molecular Weight2856.65 g/mol
Exact Mass2853.79
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/3C68H41NOS2/c1-3-19-42(20-4-1)67(43-21-5-2-6-22-43)52-27-10-7-23-45(52)47-38-37-44(39-56(47)67)69(59-32-17-26-49-48-25-9-14-33-60(48)70-66(49)59)58-31-18-36-63-65(58)51-40-50-46-24-8-11-28-53(46)68(57(50)41-64(51)72-63)54-29-12-15-34-61(54)71-62-35-16-13-30-55(62)68;1-3-18-42(19-4-1)67(43-20-5-2-6-21-43)53-25-10-7-22-46(53)48-36-34-45(39-57(48)67)69(44-35-37-61-51(38-44)49-24-9-14-30-60(49)70-61)59-29-17-33-64-66(59)52-40-50-47-23-8-11-26-54(47)68(58(50)41-65(52)72-64)55-27-12-15-31-62(55)71-63-32-16-13-28-56(63)68;1-3-18-42(19-4-1)67(43-20-5-2-6-21-43)53-25-10-7-22-46(53)48-36-34-44(38-57(48)67)69(45-35-37-50-49-24-9-14-30-60(49)70-61(50)39-45)59-29-17-33-64-66(59)52-40-51-47-23-8-11-26-54(47)68(58(51)41-65(52)72-64)55-27-12-15-31-62(55)71-63-32-16-13-28-56(63)68/h3*1-41H
InChIKeyAMWNMDIVIQGMBB-UHFFFAOYSA-N
XLogP55.84
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002856.65
LogP ≤ 555.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine
CID 163958836
N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine
CID 158892408
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(9,9-diphenylfluoren-4-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165039173
N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine
CID 158391845
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827
N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 159914253
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-(9,9-diphenylfluoren-2-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164965563
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424840
N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine (CID 163426378) is N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Sc5ccccc54)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine?
The InChIKey is AMWNMDIVIQGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H41NOS2/c1-3-19-42(20-4-1)67(43-21-5-2-6-22-43)52-27-10-7-23-45(52)47-38-37-44(39-56(47)67)69(59-32-17-26-49-48-25-9-14-33-60(48)70-66(49)59)58-31-18-36-63-65(58)51-40-50-46-24-8-11-28-53(46)68(57(50)41-64(51)72-63)54-29-12-15-34-61(54)71-62-35-16-13-30-55(62)68;1-3-18-42(19-4-1)67(43-20-5-2-6-21-43)53-25-10-7-22-46(53)48-36-34-45(39-57(48)67)69(44-35-37-61-51(38-44)49-24-9-14-30-60(49)70-61)59-29-17-33-64-66(59)52-40-50-47-23-8-11-26-54(47)68(58(50)41-65(52)72-64)55-27-12-15-31-62(55)71-63-32-16-13-28-56(63)68;1-3-18-42(19-4-1)67(43-20-5-2-6-21-43)53-25-10-7-22-46(53)48-36-34-44(38-57(48)67)69(45-35-37-50-49-24-9-14-30-60(49)70-61(50)39-45)59-29-17-33-64-66(59)52-40-51-47-23-8-11-26-54(47)68(58(51)41-65(52)72-64)55-27-12-15-31-62(55)71-63-32-16-13-28-56(63)68/h3*1-41H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine?
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine has a molecular weight of 2856.65 g/mol, XLogP of 55.84, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine is sourced from PubChem (CID 163426378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).