N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine

C264H160N4O5S6 — CID 161249951

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4ccccc34)ccc21
InChIInChI=1S/C68H41NO2S.2C68H41NOS2.C60H37NOS/c1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-30-64(57)72-65-31-14-9-25-58(65)68)69(43-34-32-42(33-35-43)46-19-15-29-63-66(46)50-18-3-10-26-60(50)70-63)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-11-27-61(55)71-62-28-12-7-23-56(62)67;1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-29-63(57)72-64-30-14-9-25-58(64)68)69(43-34-32-42(33-35-43)46-19-15-31-65-66(46)50-18-3-12-28-62(50)71-65)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-10-26-60(55)70-61-27-11-7-23-56(61)67;1-4-18-53-47(15-1)49-37-34-46(41-60(49)68(53)58-22-8-13-27-64(58)72-65-28-14-9-23-59(65)68)69(44-32-29-42(30-33-44)43-31-36-51-50-17-3-12-26-63(50)71-66(51)39-43)45-35-38-55-52(40-45)48-16-2-5-19-54(48)67(55)56-20-6-10-24-61(56)70-62-25-11-7-21-57(62)67;1-2-18-41-38(16-1)17-15-27-54(41)61(39-33-35-48-45(36-39)43-20-4-6-22-47(43)59(48)49-23-7-11-28-55(49)62-56-29-12-8-24-50(56)59)40-32-34-44-42-19-3-5-21-46(42)60(53(44)37-40)51-25-9-13-30-57(51)63-58-31-14-10-26-52(58)60/h3*1-41H;1-37H
InChIKeyVBDGVLBPSGWFAP-UHFFFAOYSA-N
MW3660.61 g/mol
LogP70.60
Rot. Bonds15

About N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 161249951) has the molecular formula C264H160N4O5S6 and a molecular weight of 3660.61 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID161249951
Molecular FormulaC264H160N4O5S6
Molecular Weight3660.61 g/mol
Exact Mass3657.07
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4ccccc34)ccc21
InChIInChI=1S/C68H41NO2S.2C68H41NOS2.C60H37NOS/c1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-30-64(57)72-65-31-14-9-25-58(65)68)69(43-34-32-42(33-35-43)46-19-15-29-63-66(46)50-18-3-10-26-60(50)70-63)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-11-27-61(55)71-62-28-12-7-23-56(62)67;1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-29-63(57)72-64-30-14-9-25-58(64)68)69(43-34-32-42(33-35-43)46-19-15-31-65-66(46)50-18-3-12-28-62(50)71-65)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-10-26-60(55)70-61-27-11-7-23-56(61)67;1-4-18-53-47(15-1)49-37-34-46(41-60(49)68(53)58-22-8-13-27-64(58)72-65-28-14-9-23-59(65)68)69(44-32-29-42(30-33-44)43-31-36-51-50-17-3-12-26-63(50)71-66(51)39-43)45-35-38-55-52(40-45)48-16-2-5-19-54(48)67(55)56-20-6-10-24-61(56)70-62-25-11-7-21-57(62)67;1-2-18-41-38(16-1)17-15-27-54(41)61(39-33-35-48-45(36-39)43-20-4-6-22-47(43)59(48)49-23-7-11-28-55(49)62-56-29-12-8-24-50(56)59)40-32-34-44-42-19-3-5-21-46(42)60(53(44)37-40)51-25-9-13-30-57(51)63-58-31-14-10-26-52(58)60/h3*1-41H;1-37H
InChIKeyVBDGVLBPSGWFAP-UHFFFAOYSA-N
XLogP70.60
TPSA63.02 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms279
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003660.61
LogP ≤ 570.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 161249951) is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is VBDGVLBPSGWFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NO2S.2C68H41NOS2.C60H37NOS/c1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-30-64(57)72-65-31-14-9-25-58(65)68)69(43-34-32-42(33-35-43)46-19-15-29-63-66(46)50-18-3-10-26-60(50)70-63)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-11-27-61(55)71-62-28-12-7-23-56(62)67;1-4-20-52-47(16-1)49-38-36-45(41-59(49)68(52)57-24-8-13-29-63(57)72-64-30-14-9-25-58(64)68)69(43-34-32-42(33-35-43)46-19-15-31-65-66(46)50-18-3-12-28-62(50)71-65)44-37-39-54-51(40-44)48-17-2-5-21-53(48)67(54)55-22-6-10-26-60(55)70-61-27-11-7-23-56(61)67;1-4-18-53-47(15-1)49-37-34-46(41-60(49)68(53)58-22-8-13-27-64(58)72-65-28-14-9-23-59(65)68)69(44-32-29-42(30-33-44)43-31-36-51-50-17-3-12-26-63(50)71-66(51)39-43)45-35-38-55-52(40-45)48-16-2-5-19-54(48)67(55)56-20-6-10-24-61(56)70-62-25-11-7-21-57(62)67;1-2-18-41-38(16-1)17-15-27-54(41)61(39-33-35-48-45(36-39)43-20-4-6-22-47(43)59(48)49-23-7-11-28-55(49)62-56-29-12-8-24-50(56)59)40-32-34-44-42-19-3-5-21-46(42)60(53(44)37-40)51-25-9-13-30-57(51)63-58-31-14-10-26-52(58)60/h3*1-41H;1-37H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 3660.61 g/mol, XLogP of 70.60, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 161249951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).