4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine

C59H40N2O — CID 171584972

IUPAC4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C59H40N2O/c1-59(2)52-28-12-10-22-47(52)51-35-39(30-31-53(51)59)44-21-8-9-23-48(44)55-36-54(60-58(61-55)38-17-4-3-5-18-38)42-33-40(45-25-14-19-37-16-6-7-20-43(37)45)32-41(34-42)46-26-15-27-50-49-24-11-13-29-56(49)62-57(46)50/h3-36H,1-2H3
InChIKeyLQHAGCHQAVISPA-UHFFFAOYSA-N
MW792.98 g/mol
LogP15.84
Rot. Bonds6

About 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171584972) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
PubChem CID171584972
Molecular FormulaC59H40N2O
Molecular Weight792.98 g/mol
Exact Mass792.31
IUPAC Name4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C59H40N2O/c1-59(2)52-28-12-10-22-47(52)51-35-39(30-31-53(51)59)44-21-8-9-23-48(44)55-36-54(60-58(61-55)38-17-4-3-5-18-38)42-33-40(45-25-14-19-37-16-6-7-20-43(37)45)32-41(34-42)46-26-15-27-50-49-24-11-13-29-56(49)62-57(46)50/h3-36H,1-2H3
InChIKeyLQHAGCHQAVISPA-UHFFFAOYSA-N
XLogP15.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.98
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779102
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2,6-diphenylpyridine;4-[4-(9,9-dimethyl-6-naphthalen-1-ylfluoren-2-yl)phenyl]dibenzofuran;2-[9,9-dimethyl-7-(6-phenyldibenzofuran-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159282220
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261
4-[4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776932
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171585448
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-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine (CID 171584972) is 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3ccccc3-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is LQHAGCHQAVISPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-59(2)52-28-12-10-22-47(52)51-35-39(30-31-53(51)59)44-21-8-9-23-48(44)55-36-54(60-58(61-55)38-17-4-3-5-18-38)42-33-40(45-25-14-19-37-16-6-7-20-43(37)45)32-41(34-42)46-26-15-27-50-49-24-11-13-29-56(49)62-57(46)50/h3-36H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 792.98 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171584972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).