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

C60H41N3O — CID 171582874

IUPAC4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccccc1-c1cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n1)c2-c1cccnc1
InChIInChI=1S/C60H41N3O/c1-60(2)51-28-13-11-25-50(51)57-52(60)31-30-48(56(57)40-21-16-32-61-37-40)45-22-9-10-23-46(45)54-36-53(62-59(63-54)39-19-7-4-8-20-39)43-34-41(38-17-5-3-6-18-38)33-42(35-43)44-26-15-27-49-47-24-12-14-29-55(47)64-58(44)49/h3-37H,1-2H3
InChIKeyBBWWCMXWUXDGAU-UHFFFAOYSA-N
MW820.01 g/mol
LogP15.75
Rot. Bonds7

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

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171582874) has the molecular formula C60H41N3O and a molecular weight of 820.01 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
PubChem CID171582874
Molecular FormulaC60H41N3O
Molecular Weight820.01 g/mol
Exact Mass819.32
IUPAC Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccccc1-c1cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n1)c2-c1cccnc1
InChIInChI=1S/C60H41N3O/c1-60(2)51-28-13-11-25-50(51)57-52(60)31-30-48(56(57)40-21-16-32-61-37-40)45-22-9-10-23-46(45)54-36-53(62-59(63-54)39-19-7-4-8-20-39)43-34-41(38-17-5-3-6-18-38)33-42(35-43)44-26-15-27-49-47-24-12-14-29-55(47)64-58(44)49/h3-37H,1-2H3
InChIKeyBBWWCMXWUXDGAU-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-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584348
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452
4-(9,9-dimethylfluoren-4-yl)-6-(3-naphtho[1,2-b][1]benzofuran-5-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583445
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
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)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584972
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194
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-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171585448

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine (CID 171582874) is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c1ccc(-c1ccccc1-c1cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n1)c2-c1cccnc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is BBWWCMXWUXDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O/c1-60(2)51-28-13-11-25-50(51)57-52(60)31-30-48(56(57)40-21-16-32-61-37-40)45-22-9-10-23-46(45)54-36-53(62-59(63-54)39-19-7-4-8-20-39)43-34-41(38-17-5-3-6-18-38)33-42(35-43)44-26-15-27-49-47-24-12-14-29-55(47)64-58(44)49/h3-37H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[2-(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-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171582874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).