4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole

C159H108N8O4Si — CID 160817880

IUPAC4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1c(C)c(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c(C)c(C)c1-c1nc(-c2ccccc2)cc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)n1.Cc1ccc2c(c1)oc1c(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cccc12.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C59H46N2OSi.C52H32N4O.C48H30N2O2/c1-35-37(3)55(58-60-49(39-20-8-7-9-21-39)34-50(61-58)43-25-18-24-41-40-22-11-17-33-53(40)63(5,6)57(41)43)38(4)36(2)54(35)44-26-19-30-48-56(44)42-23-10-12-27-45(42)59(48)46-28-13-15-31-51(46)62-52-32-16-14-29-47(52)59;1-2-16-33(17-3-1)49-53-50(34-18-14-19-35(32-34)56-44-28-10-5-20-36(44)37-21-6-11-29-45(37)56)55-51(54-49)39-23-15-27-43-48(39)38-22-4-7-24-40(38)52(43)41-25-8-12-30-46(41)57-47-31-13-9-26-42(47)52;1-29-25-26-31-32-16-11-18-35(46(32)52-44(31)27-29)47-49-40(30-13-3-2-4-14-30)28-41(50-47)34-17-12-22-39-45(34)33-15-5-6-19-36(33)48(39)37-20-7-9-23-42(37)51-43-24-10-8-21-38(43)48/h7-34H,1-6H3;1-32H;2-28H,1H3
InChIKeySFDLISZRDAZKNC-UHFFFAOYSA-N
MW2222.75 g/mol
LogP38.24
Rot. Bonds11

About 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole

4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 160817880) has the molecular formula C159H108N8O4Si and a molecular weight of 2222.75 g/mol. Its IUPAC name is 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID160817880
Molecular FormulaC159H108N8O4Si
Molecular Weight2222.75 g/mol
Exact Mass2220.83
IUPAC Name4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1c(C)c(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c(C)c(C)c1-c1nc(-c2ccccc2)cc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)n1.Cc1ccc2c(c1)oc1c(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cccc12.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C59H46N2OSi.C52H32N4O.C48H30N2O2/c1-35-37(3)55(58-60-49(39-20-8-7-9-21-39)34-50(61-58)43-25-18-24-41-40-22-11-17-33-53(40)63(5,6)57(41)43)38(4)36(2)54(35)44-26-19-30-48-56(44)42-23-10-12-27-45(42)59(48)46-28-13-15-31-51(46)62-52-32-16-14-29-47(52)59;1-2-16-33(17-3-1)49-53-50(34-18-14-19-35(32-34)56-44-28-10-5-20-36(44)37-21-6-11-29-45(37)56)55-51(54-49)39-23-15-27-43-48(39)38-22-4-7-24-40(38)52(43)41-25-8-12-30-46(41)57-47-31-13-9-26-42(47)52;1-29-25-26-31-32-16-11-18-35(46(32)52-44(31)27-29)47-49-40(30-13-3-2-4-14-30)28-41(50-47)34-17-12-22-39-45(34)33-15-5-6-19-36(33)48(39)37-20-7-9-23-42(37)51-43-24-10-8-21-38(43)48/h7-34H,1-6H3;1-32H;2-28H,1H3
InChIKeySFDLISZRDAZKNC-UHFFFAOYSA-N
XLogP38.24
TPSA135.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.75
LogP ≤ 538.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine
CID 139307255
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;2,4-di(dibenzofuran-4-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 160526768
9-[3-(4-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-4'-ylpyrimidin-2-yl)phenyl]carbazole
CID 139307474
2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158529955
9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 139306563
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
12'-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014953
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138564841

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 160817880) is 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole is Cc1c(C)c(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c(C)c(C)c1-c1nc(-c2ccccc2)cc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)n1.Cc1ccc2c(c1)oc1c(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cccc12.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is SFDLISZRDAZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2OSi.C52H32N4O.C48H30N2O2/c1-35-37(3)55(58-60-49(39-20-8-7-9-21-39)34-50(61-58)43-25-18-24-41-40-22-11-17-33-53(40)63(5,6)57(41)43)38(4)36(2)54(35)44-26-19-30-48-56(44)42-23-10-12-27-45(42)59(48)46-28-13-15-31-51(46)62-52-32-16-14-29-47(52)59;1-2-16-33(17-3-1)49-53-50(34-18-14-19-35(32-34)56-44-28-10-5-20-36(44)37-21-6-11-29-45(37)56)55-51(54-49)39-23-15-27-43-48(39)38-22-4-7-24-40(38)52(43)41-25-8-12-30-46(41)57-47-31-13-9-26-42(47)52;1-29-25-26-31-32-16-11-18-35(46(32)52-44(31)27-29)47-49-40(30-13-3-2-4-14-30)28-41(50-47)34-17-12-22-39-45(34)33-15-5-6-19-36(33)48(39)37-20-7-9-23-42(37)51-43-24-10-8-21-38(43)48/h7-34H,1-6H3;1-32H;2-28H,1H3.
What are the key properties of 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 2222.75 g/mol, XLogP of 38.24, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 160817880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).