4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine

C46H30N2O — CID 171603523

IUPAC4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C46H30N2O/c1-46(32-14-3-2-4-15-32)39-20-9-7-17-34(39)35-24-22-30(26-40(35)46)41-28-42(31-23-25-37-36-18-8-10-21-43(36)49-44(37)27-31)48-45(47-41)38-19-11-13-29-12-5-6-16-33(29)38/h2-28H,1H3
InChIKeyQZUHGULFDGVXOI-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.86
Rot. Bonds4

About 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine

4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (PubChem CID 171603523) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
PubChem CID171603523
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C46H30N2O/c1-46(32-14-3-2-4-15-32)39-20-9-7-17-34(39)35-24-22-30(26-40(35)46)41-28-42(31-23-25-37-36-18-8-10-21-43(36)49-44(37)27-31)48-45(47-41)38-19-11-13-29-12-5-6-16-33(29)38/h2-28H,1H3
InChIKeyQZUHGULFDGVXOI-UHFFFAOYSA-N
XLogP11.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602771
4-(4-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602158
4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603712
4-(4-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427
4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603325
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171602496
4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602621
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (CID 171603523) is 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n3)cc21.
What is the InChIKey of 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The InChIKey is QZUHGULFDGVXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-46(32-14-3-2-4-15-32)39-20-9-7-17-34(39)35-24-22-30(26-40(35)46)41-28-42(31-23-25-37-36-18-8-10-21-43(36)49-44(37)27-31)48-45(47-41)38-19-11-13-29-12-5-6-16-33(29)38/h2-28H,1H3.
What are the key properties of 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine has a molecular weight of 626.76 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 171603523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).