4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine

C65H42N2O — CID 171602396

IUPAC4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C65H42N2O/c1-5-19-43(20-6-1)48-38-49(53-31-18-33-58-63(53)55-30-13-15-32-57(55)65(58,51-25-9-3-10-26-51)52-27-11-4-12-28-52)40-50(39-48)60-42-59(66-64(67-60)44-21-7-2-8-22-44)47-24-17-23-45(37-47)46-35-36-62-56(41-46)54-29-14-16-34-61(54)68-62/h1-42H
InChIKeyOCCKHQZUMBZZCL-UHFFFAOYSA-N
MW867.06 g/mol
LogP16.74
Rot. Bonds8

About 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine (PubChem CID 171602396) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
PubChem CID171602396
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC Name4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C65H42N2O/c1-5-19-43(20-6-1)48-38-49(53-31-18-33-58-63(53)55-30-13-15-32-57(55)65(58,51-25-9-3-10-26-51)52-27-11-4-12-28-52)40-50(39-48)60-42-59(66-64(67-60)44-21-7-2-8-22-44)47-24-17-23-45(37-47)46-35-36-62-56(41-46)54-29-14-16-34-61(54)68-62/h1-42H
InChIKeyOCCKHQZUMBZZCL-UHFFFAOYSA-N
XLogP16.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
4-dibenzofuran-2-yl-2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779159

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine (CID 171602396) is 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine?
The InChIKey is OCCKHQZUMBZZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-5-19-43(20-6-1)48-38-49(53-31-18-33-58-63(53)55-30-13-15-32-57(55)65(58,51-25-9-3-10-26-51)52-27-11-4-12-28-52)40-50(39-48)60-42-59(66-64(67-60)44-21-7-2-8-22-44)47-24-17-23-45(37-47)46-35-36-62-56(41-46)54-29-14-16-34-61(54)68-62/h1-42H.
What are the key properties of 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine has a molecular weight of 867.06 g/mol, XLogP of 16.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).