2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine

C43H30N2S — CID 118507917

IUPAC2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C43H30N2S/c1-43(2)35-21-10-9-17-31(35)32-24-23-29(25-36(32)43)30-18-11-19-33-40-34(20-12-22-39(40)46-41(30)33)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28/h3-26H,1-2H3
InChIKeyRUWYBCIRDPVRDB-UHFFFAOYSA-N
MW606.79 g/mol
LogP11.82
Rot. Bonds4

About 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine

2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine (PubChem CID 118507917) has the molecular formula C43H30N2S and a molecular weight of 606.79 g/mol. Its IUPAC name is 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine
PubChem CID118507917
Molecular FormulaC43H30N2S
Molecular Weight606.79 g/mol
Exact Mass606.21
IUPAC Name2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C43H30N2S/c1-43(2)35-21-10-9-17-31(35)32-24-23-29(25-36(32)43)30-18-11-19-33-40-34(20-12-22-39(40)46-41(30)33)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28/h3-26H,1-2H3
InChIKeyRUWYBCIRDPVRDB-UHFFFAOYSA-N
XLogP11.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.79
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenylpyrimidine
CID 142491297
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 157448144
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491338
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
2-[7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155328784
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585757
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158660476
2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 118651092
2-[1-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzothiophen-2-yl]-4,6-diphenylpyrimidine
CID 142491159

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine (CID 118507917) is 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21.
What is the InChIKey of 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine?
The InChIKey is RUWYBCIRDPVRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2S/c1-43(2)35-21-10-9-17-31(35)32-24-23-29(25-36(32)43)30-18-11-19-33-40-34(20-12-22-39(40)46-41(30)33)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28/h3-26H,1-2H3.
What are the key properties of 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine?
2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine has a molecular weight of 606.79 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 118507917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).