2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine

C34H21F2N3 — CID 134271802

IUPAC2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccc(-c3ccncc3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C34H21F2N3/c35-34(36)29-13-11-25(22-15-17-37-18-16-22)19-27(29)28-20-26(12-14-30(28)34)33-38-31(23-7-3-1-4-8-23)21-32(39-33)24-9-5-2-6-10-24/h1-21H
InChIKeyJUENYHKGRAGYBM-UHFFFAOYSA-N
MW509.56 g/mol
LogP8.66
Rot. Bonds4

About 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine

2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine (PubChem CID 134271802) has the molecular formula C34H21F2N3 and a molecular weight of 509.56 g/mol. Its IUPAC name is 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine
PubChem CID134271802
Molecular FormulaC34H21F2N3
Molecular Weight509.56 g/mol
Exact Mass509.17
IUPAC Name2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccc(-c3ccncc3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C34H21F2N3/c35-34(36)29-13-11-25(22-15-17-37-18-16-22)19-27(29)28-20-26(12-14-30(28)34)33-38-31(23-7-3-1-4-8-23)21-32(39-33)24-9-5-2-6-10-24/h1-21H
InChIKeyJUENYHKGRAGYBM-UHFFFAOYSA-N
XLogP8.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.56
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271879
2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine
CID 134271771
2-(3-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 146632171
2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
CID 158340108
4-(4-phenylphenyl)-2-pyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130260860
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-[9,9-difluoro-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134271868
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
CID 134271846
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine
CID 154597082
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine (CID 134271802) is 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine is FC1(F)c2ccc(-c3ccncc3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
The InChIKey is JUENYHKGRAGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F2N3/c35-34(36)29-13-11-25(22-15-17-37-18-16-22)19-27(29)28-20-26(12-14-30(28)34)33-38-31(23-7-3-1-4-8-23)21-32(39-33)24-9-5-2-6-10-24/h1-21H.
What are the key properties of 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine has a molecular weight of 509.56 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 134271802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).