4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine

C47H30N2O — CID 164945010

IUPAC4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4Cc4ccccc4-5)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H30N2O/c1-3-13-30(14-4-1)43-29-44(49-47(48-43)31-15-5-2-6-16-31)35-26-33(37-20-11-22-39-36-18-8-7-17-32(36)28-42(37)39)25-34(27-35)38-21-12-23-41-40-19-9-10-24-45(40)50-46(38)41/h1-27,29H,28H2
InChIKeyJTWPKESWMOADLL-UHFFFAOYSA-N
MW638.77 g/mol
LogP12.28
Rot. Bonds5

About 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 164945010) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID164945010
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC Name4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4Cc4ccccc4-5)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H30N2O/c1-3-13-30(14-4-1)43-29-44(49-47(48-43)31-15-5-2-6-16-31)35-26-33(37-20-11-22-39-36-18-8-7-17-32(36)28-42(37)39)25-34(27-35)38-21-12-23-41-40-19-9-10-24-45(40)50-46(38)41/h1-27,29H,28H2
InChIKeyJTWPKESWMOADLL-UHFFFAOYSA-N
XLogP12.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-[4-(15-thiapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2,4,6,9,11,13,16,18,20,23,25-dodecaen-6-yl)phenyl]pyrimidine
CID 155068076
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline
CID 163610022
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine (CID 164945010) is 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4cccc5c4Cc4ccccc4-5)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is JTWPKESWMOADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-3-13-30(14-4-1)43-29-44(49-47(48-43)31-15-5-2-6-16-31)35-26-33(37-20-11-22-39-36-18-8-7-17-32(36)28-42(37)39)25-34(27-35)38-21-12-23-41-40-19-9-10-24-45(40)50-46(38)41/h1-27,29H,28H2.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 638.77 g/mol, XLogP of 12.28, 5 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-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 164945010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).