2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine

C39H24F2N2 — CID 134271846

IUPAC2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3)cc21
InChIInChI=1S/C39H24F2N2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)38-42-36(26-9-3-1-4-10-26)24-37(43-38)27-11-5-2-6-12-27/h1-24H
InChIKeyBSSBMHKGTXZMTF-UHFFFAOYSA-N
MW558.63 g/mol
LogP10.42
Rot. Bonds4

About 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine

2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine (PubChem CID 134271846) has the molecular formula C39H24F2N2 and a molecular weight of 558.63 g/mol. Its IUPAC name is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
PubChem CID134271846
Molecular FormulaC39H24F2N2
Molecular Weight558.63 g/mol
Exact Mass558.19
IUPAC Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3)cc21
InChIInChI=1S/C39H24F2N2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)38-42-36(26-9-3-1-4-10-26)24-37(43-38)27-11-5-2-6-12-27/h1-24H
InChIKeyBSSBMHKGTXZMTF-UHFFFAOYSA-N
XLogP10.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine
CID 134271850
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-dinaphthalen-2-ylpyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-dinaphthalen-2-ylpyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157165175
4-[9,9-difluoro-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134271868
2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145277065
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine
CID 134271802
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271879
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine (CID 134271846) is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3)cc21.
What is the InChIKey of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine?
The InChIKey is BSSBMHKGTXZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2N2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)38-42-36(26-9-3-1-4-10-26)24-37(43-38)27-11-5-2-6-12-27/h1-24H.
What are the key properties of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine?
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine has a molecular weight of 558.63 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 134271846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).