4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine

C47H32N2O — CID 168779102

IUPAC4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)nc(-c5ccccc5)n4)c4ccccc34)ccc21
InChIInChI=1S/C47H32N2O/c1-47(2)40-21-10-8-17-34(40)39-27-30(23-26-41(39)47)31-24-25-35(33-16-7-6-15-32(31)33)42-28-43(49-46(48-42)29-13-4-3-5-14-29)38-20-12-19-37-36-18-9-11-22-44(36)50-45(37)38/h3-28H,1-2H3
InChIKeyJKAYOJMUJIXHDP-UHFFFAOYSA-N
MW640.79 g/mol
LogP12.50
Rot. Bonds4

About 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine

4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168779102) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
PubChem CID168779102
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC Name4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)nc(-c5ccccc5)n4)c4ccccc34)ccc21
InChIInChI=1S/C47H32N2O/c1-47(2)40-21-10-8-17-34(40)39-27-30(23-26-41(39)47)31-24-25-35(33-16-7-6-15-32(31)33)42-28-43(49-46(48-42)29-13-4-3-5-14-29)38-20-12-19-37-36-18-9-11-22-44(36)50-45(37)38/h3-28H,1-2H3
InChIKeyJKAYOJMUJIXHDP-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776863
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584972
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153252602
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779800
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine (CID 168779102) is 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)nc(-c5ccccc5)n4)c4ccccc34)ccc21.
What is the InChIKey of 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The InChIKey is JKAYOJMUJIXHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-47(2)40-21-10-8-17-34(40)39-27-30(23-26-41(39)47)31-24-25-35(33-16-7-6-15-32(31)33)42-28-43(49-46(48-42)29-13-4-3-5-14-29)38-20-12-19-37-36-18-9-11-22-44(36)50-45(37)38/h3-28H,1-2H3.
What are the key properties of 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine has a molecular weight of 640.79 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168779102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).