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

C59H40N2O — CID 171583955

IUPAC4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C59H40N2O/c1-59(2)51-24-12-10-22-49(51)57-48(23-14-25-52(57)59)45-19-8-9-20-46(45)54-36-53(60-58(61-54)38-16-4-3-5-17-38)44-33-42(40-28-27-37-15-6-7-18-39(37)31-40)32-43(34-44)41-29-30-56-50(35-41)47-21-11-13-26-55(47)62-56/h3-36H,1-2H3
InChIKeyWFTJSBBAULFQMF-UHFFFAOYSA-N
MW792.98 g/mol
LogP15.84
Rot. Bonds6

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

4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171583955) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID171583955
Molecular FormulaC59H40N2O
Molecular Weight792.98 g/mol
Exact Mass792.31
IUPAC Name4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C59H40N2O/c1-59(2)51-24-12-10-22-49(51)57-48(23-14-25-52(57)59)45-19-8-9-20-46(45)54-36-53(60-58(61-54)38-16-4-3-5-17-38)44-33-42(40-28-27-37-15-6-7-18-39(37)31-40)32-43(34-44)41-29-30-56-50(35-41)47-21-11-13-26-55(47)62-56/h3-36H,1-2H3
InChIKeyWFTJSBBAULFQMF-UHFFFAOYSA-N
XLogP15.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.98
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 126543799
4-[4-(3-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793234
4-(4-dibenzofuran-2-ylphenyl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794760
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-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-2-phenylpyrimidine
CID 176793586
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-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
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-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 171583955) is 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3ccccc3-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is WFTJSBBAULFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-59(2)51-24-12-10-22-49(51)57-48(23-14-25-52(57)59)45-19-8-9-20-46(45)54-36-53(60-58(61-54)38-16-4-3-5-17-38)44-33-42(40-28-27-37-15-6-7-18-39(37)31-40)32-43(34-44)41-29-30-56-50(35-41)47-21-11-13-26-55(47)62-56/h3-36H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 792.98 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171583955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).