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

C46H30N2O — CID 171602771

IUPAC4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C46H30N2O/c1-46(31-15-3-2-4-16-31)38-22-9-7-18-33(38)34-26-25-30(27-39(34)46)40-28-41(36-21-12-24-43-44(36)37-19-8-10-23-42(37)49-43)48-45(47-40)35-20-11-14-29-13-5-6-17-32(29)35/h2-28H,1H3
InChIKeyVUPNXNQQGHPXED-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.86
Rot. Bonds4

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

4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (PubChem CID 171602771) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
PubChem CID171602771
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C46H30N2O/c1-46(31-15-3-2-4-16-31)38-22-9-7-18-33(38)34-26-25-30(27-39(34)46)40-28-41(36-21-12-24-43-44(36)37-19-8-10-23-42(37)49-43)48-45(47-40)35-20-11-14-29-13-5-6-17-32(29)35/h2-28H,1H3
InChIKeyVUPNXNQQGHPXED-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

Analyze 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603523
4-(4-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602158
4-(4-dibenzofuran-1-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602265
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602125
4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171602496
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603660
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603712
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (CID 171602771) is 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5ccccc45)n3)cc21.
What is the InChIKey of 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The InChIKey is VUPNXNQQGHPXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-46(31-15-3-2-4-16-31)38-22-9-7-18-33(38)34-26-25-30(27-39(34)46)40-28-41(36-21-12-24-43-44(36)37-19-8-10-23-42(37)49-43)48-45(47-40)35-20-11-14-29-13-5-6-17-32(29)35/h2-28H,1H3.
What are the key properties of 4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
4-dibenzofuran-1-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-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 171602771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).