2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine

C37H24F2N2 — CID 135247112

IUPAC2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESFC1(F)C2=CC=CCC2c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C37H24F2N2/c38-37(39)32-18-6-5-15-28(32)29-20-19-25(21-33(29)37)36-40-34(30-16-7-11-23-9-1-3-13-26(23)30)22-35(41-36)31-17-8-12-24-10-2-4-14-27(24)31/h1-14,16-22,28H,15H2
InChIKeyODFRKNPBLOAIMF-UHFFFAOYSA-N
MW534.61 g/mol
LogP9.86
Rot. Bonds3

About 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine

2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 135247112) has the molecular formula C37H24F2N2 and a molecular weight of 534.61 g/mol. Its IUPAC name is 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID135247112
Molecular FormulaC37H24F2N2
Molecular Weight534.61 g/mol
Exact Mass534.19
IUPAC Name2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine
SMILESFC1(F)C2=CC=CCC2c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C37H24F2N2/c38-37(39)32-18-6-5-15-28(32)29-20-19-25(21-33(29)37)36-40-34(30-16-7-11-23-9-1-3-13-26(23)30)22-35(41-36)31-17-8-12-24-10-2-4-14-27(24)31/h1-14,16-22,28H,15H2
InChIKeyODFRKNPBLOAIMF-UHFFFAOYSA-N
XLogP9.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 58880915
2-(9,9-dimethyl-4b,5-dihydrofluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 145237161
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]sulfanylphenyl]-4,6-dinaphthalen-1-ylpyrimidine
CID 140905007
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665
2-cyclohexa-2,4-dien-1-yl-4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166656868
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine (CID 135247112) is 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine is FC1(F)C2=CC=CCC2c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21.
What is the InChIKey of 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is ODFRKNPBLOAIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F2N2/c38-37(39)32-18-6-5-15-28(32)29-20-19-25(21-33(29)37)36-40-34(30-16-7-11-23-9-1-3-13-26(23)30)22-35(41-36)31-17-8-12-24-10-2-4-14-27(24)31/h1-14,16-22,28H,15H2.
What are the key properties of 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine?
2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 534.61 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-4b,5-dihydrofluoren-2-yl)-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 135247112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).