2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine

C46H29F2N3 — CID 134271765

IUPAC2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C46H29F2N3/c47-46(48)39-23-21-34(42-28-36(30-13-5-1-6-14-30)27-41(49-42)31-15-7-2-8-16-31)25-37(39)38-26-35(22-24-40(38)46)45-50-43(32-17-9-3-10-18-32)29-44(51-45)33-19-11-4-12-20-33/h1-29H
InChIKeyBXLJYHYNIKPHKV-UHFFFAOYSA-N
MW661.76 g/mol
LogP11.99
Rot. Bonds6

About 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-diphenylpyrimidine (PubChem CID 134271765) has the molecular formula C46H29F2N3 and a molecular weight of 661.76 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
PubChem CID134271765
Molecular FormulaC46H29F2N3
Molecular Weight661.76 g/mol
Exact Mass661.23
IUPAC Name2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
SMILESFC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C46H29F2N3/c47-46(48)39-23-21-34(42-28-36(30-13-5-1-6-14-30)27-41(49-42)31-15-7-2-8-16-31)25-37(39)38-26-35(22-24-40(38)46)45-50-43(32-17-9-3-10-18-32)29-44(51-45)33-19-11-4-12-20-33/h1-29H
InChIKeyBXLJYHYNIKPHKV-UHFFFAOYSA-N
XLogP11.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.76
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine (CID 134271765) is 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine is FC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine?
The InChIKey is BXLJYHYNIKPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29F2N3/c47-46(48)39-23-21-34(42-28-36(30-13-5-1-6-14-30)27-41(49-42)31-15-7-2-8-16-31)25-37(39)38-26-35(22-24-40(38)46)45-50-43(32-17-9-3-10-18-32)29-44(51-45)33-19-11-4-12-20-33/h1-29H.
What are the key properties of 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-diphenylpyrimidine has a molecular weight of 661.76 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 134271765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).