4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine

C54H36N2O — CID 171602560

IUPAC4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccc(-c3ccc(-c4cc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)nc(-c5ccccc5)n4)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H36N2O/c1-54(47-20-10-7-16-42(47)43-17-8-11-21-48(43)54)40-30-27-36(28-31-40)35-23-25-37(26-24-35)49-34-50(56-53(55-49)38-13-3-2-4-14-38)44-18-6-5-15-41(44)39-29-32-52-46(33-39)45-19-9-12-22-51(45)57-52/h2-34H,1H3
InChIKeyFPORRSFKFMPKKQ-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.05
Rot. Bonds6

About 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine

4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine (PubChem CID 171602560) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
PubChem CID171602560
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccc(-c3ccc(-c4cc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)nc(-c5ccccc5)n4)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H36N2O/c1-54(47-20-10-7-16-42(47)43-17-8-11-21-48(43)54)40-30-27-36(28-31-40)35-23-25-37(26-24-35)49-34-50(56-53(55-49)38-13-3-2-4-14-38)44-18-6-5-15-41(44)39-29-32-52-46(33-39)45-19-9-12-22-51(45)57-52/h2-34H,1H3
InChIKeyFPORRSFKFMPKKQ-UHFFFAOYSA-N
XLogP14.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603107
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584697
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
CID 171602426
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
4-(4-dibenzofuran-1-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602265
4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171602496

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine (CID 171602560) is 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine is CC1(c2ccc(-c3ccc(-c4cc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)nc(-c5ccccc5)n4)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
The InChIKey is FPORRSFKFMPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-54(47-20-10-7-16-42(47)43-17-8-11-21-48(43)54)40-30-27-36(28-31-40)35-23-25-37(26-24-35)49-34-50(56-53(55-49)38-13-3-2-4-14-38)44-18-6-5-15-41(44)39-29-32-52-46(33-39)45-19-9-12-22-51(45)57-52/h2-34H,1H3.
What are the key properties of 4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine has a molecular weight of 728.90 g/mol, XLogP of 14.05, 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-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).