2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline

C149H90N14O3S — CID 158571307

IUPAC2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5cnc6ccccc6n5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)c6ccccc6n5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc6ccccc6s5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C54H33N5O.C48H29N5O.C47H28N4OS/c1-4-18-34(19-5-1)49-37-24-10-13-31-44(37)55-52(56-49)38-25-16-29-42-47(38)48-39(53-58-50(35-20-6-2-7-21-35)57-51(59-53)36-22-8-3-9-23-36)26-17-30-43(48)54(42)40-27-11-14-32-45(40)60-46-33-15-12-28-41(46)54;1-3-15-30(16-4-1)45-51-46(31-17-5-2-6-18-31)53-47(52-45)33-20-14-24-37-44(33)43-32(40-29-49-38-25-9-10-26-39(38)50-40)19-13-23-36(43)48(37)34-21-7-11-27-41(34)54-42-28-12-8-22-35(42)48;1-3-15-29(16-4-1)43-49-44(30-17-5-2-6-18-30)51-45(50-43)31-19-13-23-35-41(31)42-32(46-48-37-25-9-12-28-40(37)53-46)20-14-24-36(42)47(35)33-21-7-10-26-38(33)52-39-27-11-8-22-34(39)47/h1-33H;1-29H;1-28H
InChIKeyHSCPFUCERXXRDA-UHFFFAOYSA-N
MW2156.52 g/mol
LogP35.19
Rot. Bonds13

About 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline (PubChem CID 158571307) has the molecular formula C149H90N14O3S and a molecular weight of 2156.52 g/mol. Its IUPAC name is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline
PubChem CID158571307
Molecular FormulaC149H90N14O3S
Molecular Weight2156.52 g/mol
Exact Mass2154.70
IUPAC Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5cnc6ccccc6n5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)c6ccccc6n5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc6ccccc6s5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C54H33N5O.C48H29N5O.C47H28N4OS/c1-4-18-34(19-5-1)49-37-24-10-13-31-44(37)55-52(56-49)38-25-16-29-42-47(38)48-39(53-58-50(35-20-6-2-7-21-35)57-51(59-53)36-22-8-3-9-23-36)26-17-30-43(48)54(42)40-27-11-14-32-45(40)60-46-33-15-12-28-41(46)54;1-3-15-30(16-4-1)45-51-46(31-17-5-2-6-18-31)53-47(52-45)33-20-14-24-37-44(33)43-32(40-29-49-38-25-9-10-26-39(38)50-40)19-13-23-36(43)48(37)34-21-7-11-27-41(34)54-42-28-12-8-22-35(42)48;1-3-15-29(16-4-1)43-49-44(30-17-5-2-6-18-30)51-45(50-43)31-19-13-23-35-41(31)42-32(46-48-37-25-9-12-28-40(37)53-46)20-14-24-36(42)47(35)33-21-7-10-26-38(33)52-39-27-11-8-22-34(39)47/h1-33H;1-29H;1-28H
InChIKeyHSCPFUCERXXRDA-UHFFFAOYSA-N
XLogP35.19
TPSA208.15 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.52
LogP ≤ 535.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline 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

2-[6-(1,3-Benzothiazol-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-6-[3-[2-[6-(5-phenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]pyrimidin-5-yl]phenyl]-1,3-benzothiazole
CID 139454998
2-[4-[6'-[4-[6-Dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine
CID 146342999
2-Dibenzothiophen-3-yl-4-[3-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 146343074
2-[7'-[4-(6-Dibenzothiophen-3-yl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-phenyl-6-pyridin-2-ylpyrimidine
CID 146343085
4-Phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine
CID 146343098
2-Phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146343112
4-Dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 146343155
3-Phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline
CID 146581065
21-[3-[10-(4-Phenylphenyl)-8a,9-dihydroanthracen-9-yl]phenyl]-7-[4-[4-(3-spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]-21-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615898
2-Dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 147698776
2-Phenyl-4-[8-[5'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]dibenzothiophen-3-yl]-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 148018899
4-Dibenzothiophen-3-yl-2-[3-[6'-[3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 148393146

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline?
The IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline (CID 158571307) is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline.
What is the SMILES notation for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline?
The canonical SMILES for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5cnc6ccccc6n5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)c6ccccc6n5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc6ccccc6s5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline?
The InChIKey is HSCPFUCERXXRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O.C48H29N5O.C47H28N4OS/c1-4-18-34(19-5-1)49-37-24-10-13-31-44(37)55-52(56-49)38-25-16-29-42-47(38)48-39(53-58-50(35-20-6-2-7-21-35)57-51(59-53)36-22-8-3-9-23-36)26-17-30-43(48)54(42)40-27-11-14-32-45(40)60-46-33-15-12-28-41(46)54;1-3-15-30(16-4-1)45-51-46(31-17-5-2-6-18-31)53-47(52-45)33-20-14-24-37-44(33)43-32(40-29-49-38-25-9-10-26-39(38)50-40)19-13-23-36(43)48(37)34-21-7-11-27-41(34)54-42-28-12-8-22-35(42)48;1-3-15-29(16-4-1)43-49-44(30-17-5-2-6-18-30)51-45(50-43)31-19-13-23-35-41(31)42-32(46-48-37-25-9-12-28-40(37)53-46)20-14-24-36(42)47(35)33-21-7-10-26-38(33)52-39-27-11-8-22-34(39)47/h1-33H;1-29H;1-28H.
What are the key properties of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline?
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline has a molecular weight of 2156.52 g/mol, XLogP of 35.19, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline is sourced from PubChem (CID 158571307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).