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

C53H36N2O — CID 168776863

IUPAC4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc21
InChIInChI=1S/C53H36N2O/c1-53(2)46-21-10-8-17-40(46)41-28-27-36(31-47(41)53)33-23-25-34(26-24-33)37-29-30-42(39-16-7-6-15-38(37)39)48-32-49(55-52(54-48)35-13-4-3-5-14-35)45-20-12-19-44-43-18-9-11-22-50(43)56-51(44)45/h3-32H,1-2H3
InChIKeyWVGRFGQWFPZXLK-UHFFFAOYSA-N
MW716.88 g/mol
LogP14.17
Rot. Bonds5

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

4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168776863) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
PubChem CID168776863
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc21
InChIInChI=1S/C53H36N2O/c1-53(2)46-21-10-8-17-40(46)41-28-27-36(31-47(41)53)33-23-25-34(26-24-33)37-29-30-42(39-16-7-6-15-38(37)39)48-32-49(55-52(54-48)35-13-4-3-5-14-35)45-20-12-19-44-43-18-9-11-22-50(43)56-51(44)45/h3-32H,1-2H3
InChIKeyWVGRFGQWFPZXLK-UHFFFAOYSA-N
XLogP14.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779102
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
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 159000045
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (CID 168776863) is 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc21.
What is the InChIKey of 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
The InChIKey is WVGRFGQWFPZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-53(2)46-21-10-8-17-40(46)41-28-27-36(31-47(41)53)33-23-25-34(26-24-33)37-29-30-42(39-16-7-6-15-38(37)39)48-32-49(55-52(54-48)35-13-4-3-5-14-35)45-20-12-19-44-43-18-9-11-22-50(43)56-51(44)45/h3-32H,1-2H3.
What are the key properties of 4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine has a molecular weight of 716.88 g/mol, XLogP of 14.17, 5 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-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168776863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).