4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine

C31H22BrClN2 — CID 146013730

IUPAC4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(Cl)cc(Br)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C31H22BrClN2/c1-31(2)26-11-7-6-10-24(26)25-13-12-20(16-27(25)31)28-18-29(21-14-22(32)17-23(33)15-21)35-30(34-28)19-8-4-3-5-9-19/h3-18H,1-2H3
InChIKeyYVNLCZQOWFGCOF-UHFFFAOYSA-N
MW537.89 g/mol
LogP9.20
Rot. Bonds3

About 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine

4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine (PubChem CID 146013730) has the molecular formula C31H22BrClN2 and a molecular weight of 537.89 g/mol. Its IUPAC name is 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
PubChem CID146013730
Molecular FormulaC31H22BrClN2
Molecular Weight537.89 g/mol
Exact Mass536.07
IUPAC Name4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(Cl)cc(Br)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C31H22BrClN2/c1-31(2)26-11-7-6-10-24(26)25-13-12-20(16-27(25)31)28-18-29(21-14-22(32)17-23(33)15-21)35-30(34-28)19-8-4-3-5-9-19/h3-18H,1-2H3
InChIKeyYVNLCZQOWFGCOF-UHFFFAOYSA-N
XLogP9.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.89
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine 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-(7-Chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine
CID 134271936
4-(4-Chlorophenyl)-6-(9,9'-spirobi[9h-fluoren]-2-yl)pyrimidin-2-amine
CID 129839677
4-(4-Bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 58028702
4,6-Dimethyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 58233430
2-(3-Bromo-5-(9,9-dimethyl-9H-fluoren-2-yl)phenyl)-4,6-diphenylpyrimidine
CID 68190387
4-(3,5-Dibromophenyl)-6-(9,9-dimethyl-9H-fluoren-2-yl)-2-phenylpyrimidine
CID 89992040
4-(4-Bromophenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 89992049
2-(3-Bromo-5-chlorophenyl)-4,6-diphenylpyrimidine
CID 117662742
2-(4-Bromophenyl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 117684214
2-(3-Bromophenyl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 117692991
2-[3-Bromo-5-(9,9-dimethylfluoren-2-yl)cyclohexa-1,3-dien-1-yl]-4,6-diphenylpyrimidine
CID 117801087
2-(3-Bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
CID 118100346

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine (CID 146013730) is 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(Cl)cc(Br)c4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
The InChIKey is YVNLCZQOWFGCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BrClN2/c1-31(2)26-11-7-6-10-24(26)25-13-12-20(16-27(25)31)28-18-29(21-14-22(32)17-23(33)15-21)35-30(34-28)19-8-4-3-5-9-19/h3-18H,1-2H3.
What are the key properties of 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine has a molecular weight of 537.89 g/mol, XLogP of 9.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-chlorophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine is sourced from PubChem (CID 146013730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).