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

C54H36N2O — CID 171603107

IUPAC4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccccc2-c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3)n2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H36N2O/c1-54(47-24-12-8-19-41(47)42-20-9-13-25-48(42)54)46-23-11-7-18-40(46)39-17-5-6-21-43(39)50-34-49(55-53(56-50)37-15-3-2-4-16-37)36-29-27-35(28-30-36)38-31-32-52-45(33-38)44-22-10-14-26-51(44)57-52/h2-34H,1H3
InChIKeyUQYIUSLYYPLZEH-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.05
Rot. Bonds6

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

4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine (PubChem CID 171603107) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
PubChem CID171603107
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccccc2-c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3)n2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H36N2O/c1-54(47-24-12-8-19-41(47)42-20-9-13-25-48(42)54)46-23-11-7-18-40(46)39-17-5-6-21-43(39)50-34-49(55-53(56-50)37-15-3-2-4-16-37)36-29-27-35(28-30-36)38-31-32-52-45(33-38)44-22-10-14-26-51(44)57-52/h2-34H,1H3
InChIKeyUQYIUSLYYPLZEH-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-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602560
4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
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-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
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-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636
4-(4-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine (CID 171603107) is 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine is CC1(c2ccccc2-c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3)n2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
The InChIKey is UQYIUSLYYPLZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-54(47-24-12-8-19-41(47)42-20-9-13-25-48(42)54)46-23-11-7-18-40(46)39-17-5-6-21-43(39)50-34-49(55-53(56-50)37-15-3-2-4-16-37)36-29-27-35(28-30-36)38-31-32-52-45(33-38)44-22-10-14-26-51(44)57-52/h2-34H,1H3.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine?
4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(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-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171603107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).