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

C199H120F6N10O6S — CID 158203088

IUPAC2-[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
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)C5)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)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/C57H35N3O.C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-12-37(13-3-1)54-58-55(38-26-24-35(25-27-38)39-28-29-40-32-41-16-10-14-36-15-11-19-45(53(36)41)46(40)33-39)60-56(59-54)42-30-31-50-52(34-42)61-51-23-9-8-22-49(51)57(50)47-20-6-4-17-43(47)44-18-5-7-21-48(44)57;1-2-12-33(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/h1-31,33-34H,32H2;1-31H;1-26H;1-28H
InChIKeyGBEDGEUGORFNRY-UHFFFAOYSA-N
MW2893.27 g/mol
LogP50.47
Rot. Bonds17

About 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

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 (PubChem CID 158203088) has the molecular formula C199H120F6N10O6S and a molecular weight of 2893.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158203088
Molecular FormulaC199H120F6N10O6S
Molecular Weight2893.27 g/mol
Exact Mass2890.90
IUPAC Name2-[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
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)C5)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)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/C57H35N3O.C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-12-37(13-3-1)54-58-55(38-26-24-35(25-27-38)39-28-29-40-32-41-16-10-14-36-15-11-19-45(53(36)41)46(40)33-39)60-56(59-54)42-30-31-50-52(34-42)61-51-23-9-8-22-49(51)57(50)47-20-6-4-17-43(47)44-18-5-7-21-48(44)57;1-2-12-33(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/h1-31,33-34H,32H2;1-31H;1-26H;1-28H
InChIKeyGBEDGEUGORFNRY-UHFFFAOYSA-N
XLogP50.47
TPSA184.28 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002893.27
LogP ≤ 550.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)C5)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)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 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?
The InChIKey is GBEDGEUGORFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-12-37(13-3-1)54-58-55(38-26-24-35(25-27-38)39-28-29-40-32-41-16-10-14-36-15-11-19-45(53(36)41)46(40)33-39)60-56(59-54)42-30-31-50-52(34-42)61-51-23-9-8-22-49(51)57(50)47-20-6-4-17-43(47)44-18-5-7-21-48(44)57;1-2-12-33(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/h1-31,33-34H,32H2;1-31H;1-26H;1-28H.
What are the key properties of 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?
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 has a molecular weight of 2893.27 g/mol, XLogP of 50.47, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158203088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).