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

C42H31N3 — CID 146632410

IUPAC4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cccnc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc21
InChIInChI=1S/C42H31N3/c1-42(2)36-21-7-6-19-35(36)40-34(20-10-22-37(40)42)30-15-9-16-31(25-30)38-26-39(33-18-11-23-43-27-33)45-41(44-38)32-17-8-14-29(24-32)28-12-4-3-5-13-28/h3-27H,1-2H3
InChIKeyOXBNLLJEWJDOGN-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.51
Rot. Bonds5

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

4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine (PubChem CID 146632410) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
PubChem CID146632410
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cccnc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc21
InChIInChI=1S/C42H31N3/c1-42(2)36-21-7-6-19-35(36)40-34(20-10-22-37(40)42)30-15-9-16-31(25-30)38-26-39(33-18-11-23-43-27-33)45-41(44-38)32-17-8-14-29(24-32)28-12-4-3-5-13-28/h3-27H,1-2H3
InChIKeyOXBNLLJEWJDOGN-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-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-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-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
CID 126543598
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632776
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 176794049
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine (CID 146632410) is 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cccnc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc21.
What is the InChIKey of 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
The InChIKey is OXBNLLJEWJDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(2)36-21-7-6-19-35(36)40-34(20-10-22-37(40)42)30-15-9-16-31(25-30)38-26-39(33-18-11-23-43-27-33)45-41(44-38)32-17-8-14-29(24-32)28-12-4-3-5-13-28/h3-27H,1-2H3.
What are the key properties of 4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine?
4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-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-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 146632410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).