4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine

C60H41N3O — CID 171584348

IUPAC4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc1)c2-c1cccnc1
InChIInChI=1S/C60H41N3O/c1-60(2)51-21-11-9-20-49(51)58-52(60)29-28-47(57(58)43-18-13-31-61-37-43)39-23-25-40(26-24-39)53-36-54(63-59(62-53)41-16-7-4-8-17-41)46-33-44(38-14-5-3-6-15-38)32-45(34-46)42-27-30-56-50(35-42)48-19-10-12-22-55(48)64-56/h3-37H,1-2H3
InChIKeyGRLWWKLLTYHVPK-UHFFFAOYSA-N
MW820.01 g/mol
LogP15.75
Rot. Bonds7

About 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171584348) has the molecular formula C60H41N3O and a molecular weight of 820.01 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
PubChem CID171584348
Molecular FormulaC60H41N3O
Molecular Weight820.01 g/mol
Exact Mass819.32
IUPAC Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc1)c2-c1cccnc1
InChIInChI=1S/C60H41N3O/c1-60(2)51-21-11-9-20-49(51)58-52(60)29-28-47(57(58)43-18-13-31-61-37-43)39-23-25-40(26-24-39)53-36-54(63-59(62-53)41-16-7-4-8-17-41)46-33-44(38-14-5-3-6-15-38)32-45(34-46)42-27-30-56-50(35-42)48-19-10-12-22-55(48)64-56/h3-37H,1-2H3
InChIKeyGRLWWKLLTYHVPK-UHFFFAOYSA-N
XLogP15.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.01
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171582874
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine
CID 154950048
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-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
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-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 154950154
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171585653
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171584543
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-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine (CID 171584348) is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc1)c2-c1cccnc1.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is GRLWWKLLTYHVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O/c1-60(2)51-21-11-9-20-49(51)58-52(60)29-28-47(57(58)43-18-13-31-61-37-43)39-23-25-40(26-24-39)53-36-54(63-59(62-53)41-16-7-4-8-17-41)46-33-44(38-14-5-3-6-15-38)32-45(34-46)42-27-30-56-50(35-42)48-19-10-12-22-55(48)64-56/h3-37H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 820.01 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171584348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).