4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine

C60H40N2O — CID 171584697

IUPAC4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(-c3ccccc3-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C60H40N2O/c1-60(46-21-9-4-10-22-46)53-27-15-13-24-48(53)51-37-42(29-31-54(51)60)47-23-11-12-25-49(47)56-38-55(61-59(62-56)40-19-7-3-8-20-40)45-34-43(39-17-5-2-6-18-39)33-44(35-45)41-30-32-58-52(36-41)50-26-14-16-28-57(50)63-58/h2-38H,1H3
InChIKeyTVKWTWCQOLJBOY-UHFFFAOYSA-N
MW804.99 g/mol
LogP15.71
Rot. Bonds7

About 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171584697) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
PubChem CID171584697
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(-c3ccccc3-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C60H40N2O/c1-60(46-21-9-4-10-22-46)53-27-15-13-24-48(53)51-37-42(29-31-54(51)60)47-23-11-12-25-49(47)56-38-55(61-59(62-56)40-19-7-3-8-20-40)45-34-43(39-17-5-2-6-18-39)33-44(35-45)41-30-32-58-52(36-41)50-26-14-16-28-57(50)63-58/h2-38H,1H3
InChIKeyTVKWTWCQOLJBOY-UHFFFAOYSA-N
XLogP15.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602560
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603107
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
4-dibenzofuran-2-yl-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602430

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine (CID 171584697) is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2cc(-c3ccccc3-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is TVKWTWCQOLJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-60(46-21-9-4-10-22-46)53-27-15-13-24-48(53)51-37-42(29-31-54(51)60)47-23-11-12-25-49(47)56-38-55(61-59(62-56)40-19-7-3-8-20-40)45-34-43(39-17-5-2-6-18-39)33-44(35-45)41-30-32-58-52(36-41)50-26-14-16-28-57(50)63-58/h2-38H,1H3.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 804.99 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171584697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).