4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine

C42H31N3O — CID 129043994

IUPAC4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccccc4C4=CCNC=C4)n3)cc21
InChIInChI=1S/C42H31N3O/c1-42(2)35-13-7-5-10-30(35)31-17-15-28(24-36(31)42)41-44-37(27-16-18-40-34(23-27)33-12-6-8-14-39(33)46-40)25-38(45-41)32-11-4-3-9-29(32)26-19-21-43-22-20-26/h3-21,23-25,43H,22H2,1-2H3
InChIKeyAOYQYCHWVMOYOH-UHFFFAOYSA-N
MW593.73 g/mol
LogP10.18
Rot. Bonds4

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

4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine (PubChem CID 129043994) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine
PubChem CID129043994
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Name4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccccc4C4=CCNC=C4)n3)cc21
InChIInChI=1S/C42H31N3O/c1-42(2)35-13-7-5-10-30(35)31-17-15-28(24-36(31)42)41-44-37(27-16-18-40-34(23-27)33-12-6-8-14-39(33)46-40)25-38(45-41)32-11-4-3-9-29(32)26-19-21-43-22-20-26/h3-21,23-25,43H,22H2,1-2H3
InChIKeyAOYQYCHWVMOYOH-UHFFFAOYSA-N
XLogP10.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583328
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
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-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine (CID 129043994) is 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccccc4C4=CCNC=C4)n3)cc21.
What is the InChIKey of 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine?
The InChIKey is AOYQYCHWVMOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O/c1-42(2)35-13-7-5-10-30(35)31-17-15-28(24-36(31)42)41-44-37(27-16-18-40-34(23-27)33-12-6-8-14-39(33)46-40)25-38(45-41)32-11-4-3-9-29(32)26-19-21-43-22-20-26/h3-21,23-25,43H,22H2,1-2H3.
What are the key properties of 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine?
4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine has a molecular weight of 593.73 g/mol, XLogP of 10.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine is sourced from PubChem (CID 129043994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).