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

C52H34N2O — CID 171602496

IUPAC4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4ccccc4-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C52H34N2O/c1-52(38-15-3-2-4-16-38)45-21-11-9-18-40(45)41-27-25-36(31-46(41)52)47-32-48(54-51(53-47)37-24-23-33-13-5-6-14-34(33)29-37)42-19-8-7-17-39(42)35-26-28-50-44(30-35)43-20-10-12-22-49(43)55-50/h2-32H,1H3
InChIKeyKYYXNPCOMZLLJI-UHFFFAOYSA-N
MW702.86 g/mol
LogP13.53
Rot. Bonds5

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

4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (PubChem CID 171602496) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
PubChem CID171602496
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4ccccc4-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C52H34N2O/c1-52(38-15-3-2-4-16-38)45-21-11-9-18-40(45)41-27-25-36(31-46(41)52)47-32-48(54-51(53-47)37-24-23-33-13-5-6-14-34(33)29-37)42-19-8-7-17-39(42)35-26-28-50-44(30-35)43-20-10-12-22-49(43)55-50/h2-32H,1H3
InChIKeyKYYXNPCOMZLLJI-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
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-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602560
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171602480
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584697
4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
CID 171602426
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
4-dibenzofuran-2-yl-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602430
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (CID 171602496) is 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4ccccc4-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5ccccc5c4)n3)cc21.
What is the InChIKey of 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The InChIKey is KYYXNPCOMZLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-52(38-15-3-2-4-16-38)45-21-11-9-18-40(45)41-27-25-36(31-46(41)52)47-32-48(54-51(53-47)37-24-23-33-13-5-6-14-34(33)29-37)42-19-8-7-17-39(42)35-26-28-50-44(30-35)43-20-10-12-22-49(43)55-50/h2-32H,1H3.
What are the key properties of 4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine has a molecular weight of 702.86 g/mol, XLogP of 13.53, 5 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-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 171602496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).