4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine

C51H34N2O — CID 168778381

IUPAC4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2c(cccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)-c2ccc3ccccc3c21
InChIInChI=1S/C51H34N2O/c1-51(2)48-33-17-7-6-14-31(33)26-27-39(48)38-22-12-21-37(49(38)51)36-28-29-40(35-19-9-8-18-34(35)36)50-52-43(32-15-4-3-5-16-32)30-44(53-50)41-23-13-25-46-47(41)42-20-10-11-24-45(42)54-46/h3-30H,1-2H3
InChIKeyQVDQSTSPCZIJID-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.66
Rot. Bonds4

About 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine

4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine (PubChem CID 168778381) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine
PubChem CID168778381
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2c(cccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)-c2ccc3ccccc3c21
InChIInChI=1S/C51H34N2O/c1-51(2)48-33-17-7-6-14-31(33)26-27-39(48)38-22-12-21-37(49(38)51)36-28-29-40(35-19-9-8-18-34(35)36)50-52-43(32-15-4-3-5-16-32)30-44(53-50)41-23-13-25-46-47(41)42-20-10-11-24-45(42)54-46/h3-30H,1-2H3
InChIKeyQVDQSTSPCZIJID-UHFFFAOYSA-N
XLogP13.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777291
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168780089
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168780096
4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
CID 176917153
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602771
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094
2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidine
CID 168777752
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
CID 154602693
2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-3-yl)-6-phenylpyrimidine
CID 168778106
[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
CID 177088039

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine (CID 168778381) is 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine is CC1(C)c2c(cccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)-c2ccc3ccccc3c21.
What is the InChIKey of 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The InChIKey is QVDQSTSPCZIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)48-33-17-7-6-14-31(33)26-27-39(48)38-22-12-21-37(49(38)51)36-28-29-40(35-19-9-8-18-34(35)36)50-52-43(32-15-4-3-5-16-32)30-44(53-50)41-23-13-25-46-47(41)42-20-10-11-24-45(42)54-46/h3-30H,1-2H3.
What are the key properties of 4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine?
4-dibenzofuran-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine has a molecular weight of 690.85 g/mol, XLogP of 13.66, 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-2-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 168778381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).