2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine

C252H163N7O7S5 — CID 158625616

IUPAC2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4c3ccc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4c3ccc3cccnc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4cc5c(cc43)oc3ccccc35)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4cc5ccccc5cc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4ccc(-c5cccc6c5oc5ccccc56)cc43)cc2)cc1
InChIInChI=1S/C55H36N2OS.C55H35NO2S.C49H31NO2S.C47H31NOS.C46H30N2OS/c1-4-16-37(17-5-1)38-28-30-41(31-29-38)56(39-18-6-2-7-19-39)42-32-35-51-48(36-42)55(45-23-11-14-26-50(45)58-51)46-24-12-15-27-52(46)59-54-47(55)34-33-44-43-22-10-13-25-49(43)57(53(44)54)40-20-8-3-9-21-40;1-3-14-36(15-4-1)37-26-29-40(30-27-37)56(39-16-5-2-6-17-39)41-31-32-51-47(35-41)55(45-21-8-11-24-50(45)57-51)46-22-9-12-25-52(46)59-53-33-28-38(34-48(53)55)42-19-13-20-44-43-18-7-10-23-49(43)58-54(42)44;1-3-13-32(14-4-1)33-23-25-35(26-24-33)50(34-15-5-2-6-16-34)36-27-28-45-41(29-36)49(39-18-8-11-21-44(39)52-45)40-19-9-12-22-47(40)53-48-30-38-37-17-7-10-20-43(37)51-46(38)31-42(48)49;1-3-13-32(14-4-1)33-23-25-37(26-24-33)48(36-17-5-2-6-18-36)38-27-28-44-41(31-38)47(39-19-9-11-21-43(39)49-44)40-20-10-12-22-45(40)50-46-30-35-16-8-7-15-34(35)29-42(46)47;1-3-12-31(13-4-1)32-21-24-35(25-22-32)48(34-15-5-2-6-16-34)36-26-28-42-40(30-36)46(37-17-7-9-19-41(37)49-42)38-18-8-10-20-43(38)50-45-39(46)27-23-33-14-11-29-47-44(33)45/h1-36H;1-35H;1-31H;1-31H;1-30H
InChIKeyHYOBVSRSSWEKNS-UHFFFAOYSA-N
MW3561.45 g/mol
LogP69.15
Rot. Bonds22

About 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine

2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine (PubChem CID 158625616) has the molecular formula C252H163N7O7S5 and a molecular weight of 3561.45 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine
PubChem CID158625616
Molecular FormulaC252H163N7O7S5
Molecular Weight3561.45 g/mol
Exact Mass3558.12
IUPAC Name2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4c3ccc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4c3ccc3cccnc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4cc5c(cc43)oc3ccccc35)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4cc5ccccc5cc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4ccc(-c5cccc6c5oc5ccccc56)cc43)cc2)cc1
InChIInChI=1S/C55H36N2OS.C55H35NO2S.C49H31NO2S.C47H31NOS.C46H30N2OS/c1-4-16-37(17-5-1)38-28-30-41(31-29-38)56(39-18-6-2-7-19-39)42-32-35-51-48(36-42)55(45-23-11-14-26-50(45)58-51)46-24-12-15-27-52(46)59-54-47(55)34-33-44-43-22-10-13-25-49(43)57(53(44)54)40-20-8-3-9-21-40;1-3-14-36(15-4-1)37-26-29-40(30-27-37)56(39-16-5-2-6-17-39)41-31-32-51-47(35-41)55(45-21-8-11-24-50(45)57-51)46-22-9-12-25-52(46)59-53-33-28-38(34-48(53)55)42-19-13-20-44-43-18-7-10-23-49(43)58-54(42)44;1-3-13-32(14-4-1)33-23-25-35(26-24-33)50(34-15-5-2-6-16-34)36-27-28-45-41(29-36)49(39-18-8-11-21-44(39)52-45)40-19-9-12-22-47(40)53-48-30-38-37-17-7-10-20-43(37)51-46(38)31-42(48)49;1-3-13-32(14-4-1)33-23-25-37(26-24-33)48(36-17-5-2-6-18-36)38-27-28-44-41(31-38)47(39-19-9-11-21-43(39)49-44)40-20-10-12-22-45(40)50-46-30-35-16-8-7-15-34(35)29-42(46)47;1-3-12-31(13-4-1)32-21-24-35(25-22-32)48(34-15-5-2-6-16-34)36-26-28-42-40(30-36)46(37-17-7-9-19-41(37)49-42)38-18-8-10-20-43(38)50-45-39(46)27-23-33-14-11-29-47-44(33)45/h1-36H;1-35H;1-31H;1-31H;1-30H
InChIKeyHYOBVSRSSWEKNS-UHFFFAOYSA-N
XLogP69.15
TPSA106.45 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003561.45
LogP ≤ 569.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine?
The IUPAC name of 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine (CID 158625616) is 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine.
What is the SMILES notation for 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine?
The canonical SMILES for 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4c3ccc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4c3ccc3cccnc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4cc5c(cc43)oc3ccccc35)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4cc5ccccc5cc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4Sc4ccc(-c5cccc6c5oc5ccccc56)cc43)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine?
The InChIKey is HYOBVSRSSWEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2OS.C55H35NO2S.C49H31NO2S.C47H31NOS.C46H30N2OS/c1-4-16-37(17-5-1)38-28-30-41(31-29-38)56(39-18-6-2-7-19-39)42-32-35-51-48(36-42)55(45-23-11-14-26-50(45)58-51)46-24-12-15-27-52(46)59-54-47(55)34-33-44-43-22-10-13-25-49(43)57(53(44)54)40-20-8-3-9-21-40;1-3-14-36(15-4-1)37-26-29-40(30-27-37)56(39-16-5-2-6-17-39)41-31-32-51-47(35-41)55(45-21-8-11-24-50(45)57-51)46-22-9-12-25-52(46)59-53-33-28-38(34-48(53)55)42-19-13-20-44-43-18-7-10-23-49(43)58-54(42)44;1-3-13-32(14-4-1)33-23-25-35(26-24-33)50(34-15-5-2-6-16-34)36-27-28-45-41(29-36)49(39-18-8-11-21-44(39)52-45)40-19-9-12-22-47(40)53-48-30-38-37-17-7-10-20-43(37)51-46(38)31-42(48)49;1-3-13-32(14-4-1)33-23-25-37(26-24-33)48(36-17-5-2-6-18-36)38-27-28-44-41(31-38)47(39-19-9-11-21-43(39)49-44)40-20-10-12-22-45(40)50-46-30-35-16-8-7-15-34(35)29-42(46)47;1-3-12-31(13-4-1)32-21-24-35(25-22-32)48(34-15-5-2-6-16-34)36-26-28-42-40(30-36)46(37-17-7-9-19-41(37)49-42)38-18-8-10-20-43(38)50-45-39(46)27-23-33-14-11-29-47-44(33)45/h1-36H;1-35H;1-31H;1-31H;1-30H.
What are the key properties of 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine?
2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine has a molecular weight of 3561.45 g/mol, XLogP of 69.15, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-N-phenyl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2'-amine;N,13-diphenyl-N-(4-phenylphenyl)spiro[thiochromeno[2,3-a]carbazole-7,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)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'-xanthene]-2'-amine;N-phenyl-N-(4-phenylphenyl)spiro[thiochromeno[3,2-h]quinoline-7,9'-xanthene]-2'-amine is sourced from PubChem (CID 158625616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).