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

C54H37N3O — CID 154950154

IUPAC4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C54H37N3O/c1-54(2)47-14-8-6-12-43(47)45-31-38(20-22-48(45)54)41-28-40(35-18-16-34(17-19-35)36-24-26-55-27-25-36)29-42(30-41)50-33-49(56-53(57-50)37-10-4-3-5-11-37)39-21-23-52-46(32-39)44-13-7-9-15-51(44)58-52/h3-33H,1-2H3
InChIKeyHLDAFUOZGAJBDP-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.08
Rot. Bonds6

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

4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine (PubChem CID 154950154) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
PubChem CID154950154
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C54H37N3O/c1-54(2)47-14-8-6-12-43(47)45-31-38(20-22-48(45)54)41-28-40(35-18-16-34(17-19-35)36-24-26-55-27-25-36)29-42(30-41)50-33-49(56-53(57-50)37-10-4-3-5-11-37)39-21-23-52-46(32-39)44-13-7-9-15-51(44)58-52/h3-33H,1-2H3
InChIKeyHLDAFUOZGAJBDP-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
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
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
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-phenylphenyl)-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine (CID 154950154) is 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccccc5)n4)c3)ccc21.
What is the InChIKey of 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine?
The InChIKey is HLDAFUOZGAJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-54(2)47-14-8-6-12-43(47)45-31-38(20-22-48(45)54)41-28-40(35-18-16-34(17-19-35)36-24-26-55-27-25-36)29-42(30-41)50-33-49(56-53(57-50)37-10-4-3-5-11-37)39-21-23-52-46(32-39)44-13-7-9-15-51(44)58-52/h3-33H,1-2H3.
What are the key properties of 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine?
4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine has a molecular weight of 743.91 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 154950154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).