2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine

C147H94N8S3 — CID 163618386

IUPAC2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4sc5ccccc5c34)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C52H31N3S.C52H33N3S.C43H30N2S/c1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)35-30-40(48-39-22-10-14-26-46(39)56-47(48)31-35)34-27-28-45-41(29-34)38-21-9-13-25-44(38)52(45)42-23-11-7-19-36(42)37-20-8-12-24-43(37)52;1-5-17-34(18-6-1)49-53-50(35-19-7-2-8-20-35)55-51(54-49)37-32-42(48-41-26-14-16-28-46(41)56-47(48)33-37)36-29-30-45-43(31-36)40-25-13-15-27-44(40)52(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-43(2)35-19-11-9-17-31(35)34-23-29(21-22-36(34)43)33-24-30(25-40-41(33)32-18-10-12-20-39(32)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28/h1-31H;1-33H;3-26H,1-2H3
InChIKeyHLYOBGUOJTWWQV-UHFFFAOYSA-N
MW2068.63 g/mol
LogP38.34
Rot. Bonds14

About 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine

2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine (PubChem CID 163618386) has the molecular formula C147H94N8S3 and a molecular weight of 2068.63 g/mol. Its IUPAC name is 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
PubChem CID163618386
Molecular FormulaC147H94N8S3
Molecular Weight2068.63 g/mol
Exact Mass2066.68
IUPAC Name2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4sc5ccccc5c34)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C52H31N3S.C52H33N3S.C43H30N2S/c1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)35-30-40(48-39-22-10-14-26-46(39)56-47(48)31-35)34-27-28-45-41(29-34)38-21-9-13-25-44(38)52(45)42-23-11-7-19-36(42)37-20-8-12-24-43(37)52;1-5-17-34(18-6-1)49-53-50(35-19-7-2-8-20-35)55-51(54-49)37-32-42(48-41-26-14-16-28-46(41)56-47(48)33-37)36-29-30-45-43(31-36)40-25-13-15-27-44(40)52(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-43(2)35-19-11-9-17-31(35)34-23-29(21-22-36(34)43)33-24-30(25-40-41(33)32-18-10-12-20-39(32)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28/h1-31H;1-33H;3-26H,1-2H3
InChIKeyHLYOBGUOJTWWQV-UHFFFAOYSA-N
XLogP38.34
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002068.63
LogP ≤ 538.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine 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

4-(4-dibenzothiophen-3-ylphenyl)-6-[2-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171603348
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176834778
2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 163934462
4-(2-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171602266
4-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602444
2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenylpyrimidine
CID 146495307
2-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 160861810
2-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[2-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenylpyridine;2-[2-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenylpyridine
CID 159436810
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779038
4-dibenzothiophen-3-yl-2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-phenylphenyl)pyrimidine
CID 168777570
2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367888
4-dibenzothiophen-3-yl-6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The IUPAC name of 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine (CID 163618386) is 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4sc5ccccc5c34)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The InChIKey is HLYOBGUOJTWWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3S.C52H33N3S.C43H30N2S/c1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)35-30-40(48-39-22-10-14-26-46(39)56-47(48)31-35)34-27-28-45-41(29-34)38-21-9-13-25-44(38)52(45)42-23-11-7-19-36(42)37-20-8-12-24-43(37)52;1-5-17-34(18-6-1)49-53-50(35-19-7-2-8-20-35)55-51(54-49)37-32-42(48-41-26-14-16-28-46(41)56-47(48)33-37)36-29-30-45-43(31-36)40-25-13-15-27-44(40)52(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-43(2)35-19-11-9-17-31(35)34-23-29(21-22-36(34)43)33-24-30(25-40-41(33)32-18-10-12-20-39(32)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28/h1-31H;1-33H;3-26H,1-2H3.
What are the key properties of 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine has a molecular weight of 2068.63 g/mol, XLogP of 38.34, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine is sourced from PubChem (CID 163618386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).