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

C34H21F2N3 — CID 134271784

IUPAC2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccc(-c3ccccn3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C34H21F2N3/c35-34(36)28-16-14-24(30-13-7-8-18-37-30)19-26(28)27-20-25(15-17-29(27)34)33-38-31(22-9-3-1-4-10-22)21-32(39-33)23-11-5-2-6-12-23/h1-21H
InChIKeyOOYNZHLWWMTZFV-UHFFFAOYSA-N
MW509.56 g/mol
LogP8.66
Rot. Bonds4

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

2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine (PubChem CID 134271784) has the molecular formula C34H21F2N3 and a molecular weight of 509.56 g/mol. Its IUPAC name is 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine
PubChem CID134271784
Molecular FormulaC34H21F2N3
Molecular Weight509.56 g/mol
Exact Mass509.17
IUPAC Name2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccc(-c3ccccn3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C34H21F2N3/c35-34(36)28-16-14-24(30-13-7-8-18-37-30)19-26(28)27-20-25(15-17-29(27)34)33-38-31(22-9-3-1-4-10-22)21-32(39-33)23-11-5-2-6-12-23/h1-21H
InChIKeyOOYNZHLWWMTZFV-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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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine (CID 134271784) is 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine is FC1(F)c2ccc(-c3ccccn3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
The InChIKey is OOYNZHLWWMTZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F2N3/c35-34(36)28-16-14-24(30-13-7-8-18-37-30)19-26(28)27-20-25(15-17-29(27)34)33-38-31(22-9-3-1-4-10-22)21-32(39-33)23-11-5-2-6-12-23/h1-21H.
What are the key properties of 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine?
2-(9,9-difluoro-6-pyridin-2-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-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 134271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).