4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine

C42H31N3 — CID 146633236

IUPAC4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc21
InChIInChI=1S/C42H31N3/c1-42(2)37-13-7-6-12-35(37)36-25-33(22-23-38(36)42)30-14-18-31(19-15-30)39-26-40(34-11-8-24-43-27-34)45-41(44-39)32-20-16-29(17-21-32)28-9-4-3-5-10-28/h3-27H,1-2H3
InChIKeyFFODJAWNAOBPGR-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.51
Rot. Bonds5

About 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine

4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine (PubChem CID 146633236) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
PubChem CID146633236
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc21
InChIInChI=1S/C42H31N3/c1-42(2)37-13-7-6-12-35(37)36-25-33(22-23-38(36)42)30-14-18-31(19-15-30)39-26-40(34-11-8-24-43-27-34)45-41(44-39)32-20-16-29(17-21-32)28-9-4-3-5-10-28/h3-27H,1-2H3
InChIKeyFFODJAWNAOBPGR-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465640
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
2-[9,9-dimethyl-6-(6-pyridin-3-yl-3-pyridinyl)fluoren-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134380834
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
4-(3-phenylphenyl)-2-pyridin-3-yl-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine
CID 146557528
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine (CID 146633236) is 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc21.
What is the InChIKey of 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The InChIKey is FFODJAWNAOBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(2)37-13-7-6-12-35(37)36-25-33(22-23-38(36)42)30-14-18-31(19-15-30)39-26-40(34-11-8-24-43-27-34)45-41(44-39)32-20-16-29(17-21-32)28-9-4-3-5-10-28/h3-27H,1-2H3.
What are the key properties of 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine?
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine has a molecular weight of 577.73 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 146633236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).