2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole

C154H93N15O4S — CID 160816404

IUPAC2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3-4)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nnc(-c6ccccc6)o5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H33N5OS.C50H31N5O.C48H29N5O2/c1-4-17-34(18-5-1)49-51-50(39-23-10-15-30-47(39)63-51)58-54(57-49)37-31-32-38-44(33-37)56(41-25-11-13-28-45(41)62-46-29-14-12-26-42(46)56)43-27-16-24-40(48(38)43)55-60-52(35-19-6-2-7-20-35)59-53(61-55)36-21-8-3-9-22-36;1-4-15-32(16-5-1)42-29-30-43(55-54-42)35-27-28-36-41(31-35)50(38-22-10-12-25-44(38)56-45-26-13-11-23-39(45)50)40-24-14-21-37(46(36)40)49-52-47(33-17-6-2-7-18-33)51-48(53-49)34-19-8-3-9-20-34;1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)51-45(50-43)35-21-14-24-38-42(35)34-28-27-33(47-53-52-46(55-47)32-19-8-3-9-20-32)29-39(34)48(38)36-22-10-12-25-40(36)54-41-26-13-11-23-37(41)48/h1-33H;1-31H;1-29H
InChIKeySEYRMGGDRDALAQ-UHFFFAOYSA-N
MW2249.61 g/mol
LogP36.36
Rot. Bonds15

About 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole

2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 160816404) has the molecular formula C154H93N15O4S and a molecular weight of 2249.61 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID160816404
Molecular FormulaC154H93N15O4S
Molecular Weight2249.61 g/mol
Exact Mass2247.73
IUPAC Name2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3-4)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nnc(-c6ccccc6)o5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H33N5OS.C50H31N5O.C48H29N5O2/c1-4-17-34(18-5-1)49-51-50(39-23-10-15-30-47(39)63-51)58-54(57-49)37-31-32-38-44(33-37)56(41-25-11-13-28-45(41)62-46-29-14-12-26-42(46)56)43-27-16-24-40(48(38)43)55-60-52(35-19-6-2-7-20-35)59-53(61-55)36-21-8-3-9-22-36;1-4-15-32(16-5-1)42-29-30-43(55-54-42)35-27-28-36-41(31-35)50(38-22-10-12-25-44(38)56-45-26-13-11-23-39(45)50)40-24-14-21-37(46(36)40)49-52-47(33-17-6-2-7-18-33)51-48(53-49)34-19-8-3-9-20-34;1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)51-45(50-43)35-21-14-24-38-42(35)34-28-27-33(47-53-52-46(55-47)32-19-8-3-9-20-32)29-39(34)48(38)36-22-10-12-25-40(36)54-41-26-13-11-23-37(41)48/h1-33H;1-31H;1-29H
InChIKeySEYRMGGDRDALAQ-UHFFFAOYSA-N
XLogP36.36
TPSA234.18 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002249.61
LogP ≤ 536.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 147868110
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162059090
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 153297833
2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126539
2-(4-phenylphenyl)-4-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170928738
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716
2-(4-phenylphenyl)-4-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126671
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 161212444
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
2-(10-phenylanthracen-9-yl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126480
2-naphthalen-2-yl-4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170928885

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 160816404) is 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3-4)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nnc(-c6ccccc6)o5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SEYRMGGDRDALAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5OS.C50H31N5O.C48H29N5O2/c1-4-17-34(18-5-1)49-51-50(39-23-10-15-30-47(39)63-51)58-54(57-49)37-31-32-38-44(33-37)56(41-25-11-13-28-45(41)62-46-29-14-12-26-42(46)56)43-27-16-24-40(48(38)43)55-60-52(35-19-6-2-7-20-35)59-53(61-55)36-21-8-3-9-22-36;1-4-15-32(16-5-1)42-29-30-43(55-54-42)35-27-28-36-41(31-35)50(38-22-10-12-25-44(38)56-45-26-13-11-23-39(45)50)40-24-14-21-37(46(36)40)49-52-47(33-17-6-2-7-18-33)51-48(53-49)34-19-8-3-9-20-34;1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)51-45(50-43)35-21-14-24-38-42(35)34-28-27-33(47-53-52-46(55-47)32-19-8-3-9-20-32)29-39(34)48(38)36-22-10-12-25-40(36)54-41-26-13-11-23-37(41)48/h1-33H;1-31H;1-29H.
What are the key properties of 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole?
2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 2249.61 g/mol, XLogP of 36.36, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 160816404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).