4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine

C53H34N2O — CID 146367846

IUPAC4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc4c(cc3-c3ccc5oc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2O/c1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)44-32-43-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(43)33-42(44)37-29-30-51-45(31-37)41-26-14-16-28-50(41)56-51/h1-34H
InChIKeySFYUWKQLDWNZMA-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.41
Rot. Bonds6

About 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine

4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine (PubChem CID 146367846) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
PubChem CID146367846
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc4c(cc3-c3ccc5oc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2O/c1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)44-32-43-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(43)33-42(44)37-29-30-51-45(31-37)41-26-14-16-28-50(41)56-51/h1-34H
InChIKeySFYUWKQLDWNZMA-UHFFFAOYSA-N
XLogP13.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
CID 146367821
4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603674
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
2-[3-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162099195
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine (CID 146367846) is 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5oc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine?
The InChIKey is SFYUWKQLDWNZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)44-32-43-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(43)33-42(44)37-29-30-51-45(31-37)41-26-14-16-28-50(41)56-51/h1-34H.
What are the key properties of 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine?
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine has a molecular weight of 714.87 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 146367846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).