2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine

C56H38N2 — CID 176632640

IUPAC2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)c7ccccc67)n5)ccc4c3)cccc21
InChIInChI=1S/C56H38N2/c1-56(43-20-9-4-10-21-43)50-26-14-13-24-49(50)54-45(25-15-27-51(54)56)41-30-28-40-35-42(31-29-39(40)34-41)55-57-52(38-18-7-3-8-19-38)36-53(58-55)48-33-32-44(37-16-5-2-6-17-37)46-22-11-12-23-47(46)48/h2-36H,1H3
InChIKeyAXLXRHAVOUBCMB-UHFFFAOYSA-N
MW738.93 g/mol
LogP14.45
Rot. Bonds6

About 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine

2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632640) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632640
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)c7ccccc67)n5)ccc4c3)cccc21
InChIInChI=1S/C56H38N2/c1-56(43-20-9-4-10-21-43)50-26-14-13-24-49(50)54-45(25-15-27-51(54)56)41-30-28-40-35-42(31-29-39(40)34-41)55-57-52(38-18-7-3-8-19-38)36-53(58-55)48-33-32-44(37-16-5-2-6-17-37)46-22-11-12-23-47(46)48/h2-36H,1H3
InChIKeyAXLXRHAVOUBCMB-UHFFFAOYSA-N
XLogP14.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 168778225
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765228
4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776832
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
CID 154618871
4-(4-dibenzothiophen-2-ylphenyl)-6-(9-methyl-5,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602038
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602621
4-(3-dibenzothiophen-2-ylphenyl)-6-[4-(9-methyl-5,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603009
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603660

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine (CID 176632640) is 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)c7ccccc67)n5)ccc4c3)cccc21.
What is the InChIKey of 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is AXLXRHAVOUBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-56(43-20-9-4-10-21-43)50-26-14-13-24-49(50)54-45(25-15-27-51(54)56)41-30-28-40-35-42(31-29-39(40)34-41)55-57-52(38-18-7-3-8-19-38)36-53(58-55)48-33-32-44(37-16-5-2-6-17-37)46-22-11-12-23-47(46)48/h2-36H,1H3.
What are the key properties of 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 738.93 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).