3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine

C142H85F6N7O5S — CID 162054806

IUPAC3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-12-33(13-3-1)49-53-50(34-24-22-32(23-25-34)35-26-28-40-39-16-6-11-21-47(39)57-48(40)31-35)55-51(54-49)36-27-29-44-46(30-36)56-45-20-10-9-19-43(45)52(44)41-17-7-4-14-37(41)38-15-5-8-18-42(38)52;46-44(47,48)53-33-18-13-27(14-19-33)30-23-31(28-15-20-34(21-16-28)54-45(49,50)51)25-32(24-30)29-17-22-40-42(26-29)52-41-12-6-5-11-39(41)43(40)37-9-3-1-7-35(37)36-8-2-4-10-38(36)43;1-2-12-30(13-3-1)42-47-43(31-23-21-29(22-24-31)39-19-10-11-27-46-39)49-44(48-42)32-25-26-38-41(28-32)50-40-20-9-8-18-37(40)45(38)35-16-6-4-14-33(35)34-15-5-7-17-36(34)45/h1-31H;1-26H;1-28H
InChIKeyYZANBSBJZRUKEY-UHFFFAOYSA-N
MW2115.34 g/mol
LogP36.73
Rot. Bonds13

About 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine

3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine (PubChem CID 162054806) has the molecular formula C142H85F6N7O5S and a molecular weight of 2115.34 g/mol. Its IUPAC name is 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine.

Molecular Properties

Compound Name3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
PubChem CID162054806
Molecular FormulaC142H85F6N7O5S
Molecular Weight2115.34 g/mol
Exact Mass2113.62
IUPAC Name3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-12-33(13-3-1)49-53-50(34-24-22-32(23-25-34)35-26-28-40-39-16-6-11-21-47(39)57-48(40)31-35)55-51(54-49)36-27-29-44-46(30-36)56-45-20-10-9-19-43(45)52(44)41-17-7-4-14-37(41)38-15-5-8-18-42(38)52;46-44(47,48)53-33-18-13-27(14-19-33)30-23-31(28-15-20-34(21-16-28)54-45(49,50)51)25-32(24-30)29-17-22-40-42(26-29)52-41-12-6-5-11-39(41)43(40)37-9-3-1-7-35(37)36-8-2-4-10-38(36)43;1-2-12-30(13-3-1)42-47-43(31-23-21-29(22-24-31)39-19-10-11-27-46-39)49-44(48-42)32-25-26-38-41(28-32)50-40-20-9-8-18-37(40)45(38)35-16-6-4-14-33(35)34-15-5-7-17-36(34)45/h1-31H;1-26H;1-28H
InChIKeyYZANBSBJZRUKEY-UHFFFAOYSA-N
XLogP36.73
TPSA136.38 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.34
LogP ≤ 536.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyl-9,9a-dihydrodibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519334
3-[7-[4-[4-[4-[2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 146343210
2-[3-[3'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 155305591
2-(3,5-Diphenylphenyl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3'-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[2-[4-phenyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine;4-[2-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-2,6-diphenylpyrimidine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-methylphenyl)-5'-phenylspiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[3-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylspiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 157570481
2-(2-fluoranthen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine;4-[2'-(4-methylphenyl)-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-(4-naphthalen-1-ylphenyl)-2-(6H-phenalen-2-yl)-6-spiro[fluorene-9,9'-thioxanthene]-2-ylpyrimidine;4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 157597832
2-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 158203088
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159010017
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159358717
3'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 160042667
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 161436997
3'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 161604339
2-[4-[4-[6'-[4,6-Bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166738052

Frequently Asked Questions

What is the IUPAC name of 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
The IUPAC name of 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine (CID 162054806) is 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine.
What is the SMILES notation for 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
The canonical SMILES for 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine is FC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
The InChIKey is YZANBSBJZRUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-12-33(13-3-1)49-53-50(34-24-22-32(23-25-34)35-26-28-40-39-16-6-11-21-47(39)57-48(40)31-35)55-51(54-49)36-27-29-44-46(30-36)56-45-20-10-9-19-43(45)52(44)41-17-7-4-14-37(41)38-15-5-8-18-42(38)52;46-44(47,48)53-33-18-13-27(14-19-33)30-23-31(28-15-20-34(21-16-28)54-45(49,50)51)25-32(24-30)29-17-22-40-42(26-29)52-41-12-6-5-11-39(41)43(40)37-9-3-1-7-35(37)36-8-2-4-10-38(36)43;1-2-12-30(13-3-1)42-47-43(31-23-21-29(22-24-31)39-19-10-11-27-46-39)49-44(48-42)32-25-26-38-41(28-32)50-40-20-9-8-18-37(40)45(38)35-16-6-4-14-33(35)34-15-5-7-17-36(34)45/h1-31H;1-26H;1-28H.
What are the key properties of 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine has a molecular weight of 2115.34 g/mol, XLogP of 36.73, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine is sourced from PubChem (CID 162054806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).