5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine

C33H36Br2N4 — CID 11006790

IUPAC5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ncc(Br)cn3)ccc2-c2ccc(-c3ncc(Br)cn3)cc21
InChIInChI=1S/C33H36Br2N4/c1-3-5-7-9-15-33(16-10-8-6-4-2)29-17-23(31-36-19-25(34)20-37-31)11-13-27(29)28-14-12-24(18-30(28)33)32-38-21-26(35)22-39-32/h11-14,17-22H,3-10,15-16H2,1-2H3
InChIKeyJPRNAUYSHROFPN-UHFFFAOYSA-N
MW648.49 g/mol
LogP10.33
Rot. Bonds12

About 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine

5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine (PubChem CID 11006790) has the molecular formula C33H36Br2N4 and a molecular weight of 648.49 g/mol. Its IUPAC name is 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine
PubChem CID11006790
Molecular FormulaC33H36Br2N4
Molecular Weight648.49 g/mol
Exact Mass646.13
IUPAC Name5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ncc(Br)cn3)ccc2-c2ccc(-c3ncc(Br)cn3)cc21
InChIInChI=1S/C33H36Br2N4/c1-3-5-7-9-15-33(16-10-8-6-4-2)29-17-23(31-36-19-25(34)20-37-31)11-13-27(29)28-14-12-24(18-30(28)33)32-38-21-26(35)22-39-32/h11-14,17-22H,3-10,15-16H2,1-2H3
InChIKeyJPRNAUYSHROFPN-UHFFFAOYSA-N
XLogP10.33
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.49
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine 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

2-[4-(9H-Fluoren-1-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 10450082
2-[4-(9H-Fluoren-4-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 44304314
2-[4-(9H-Fluoren-2-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 15384397
2,7-Bis[2-(4-t-butylphenyl)pyrimidin-5-yl]-9,9'-spirobifluorene
CID 69617487
2-(7-fluoro-2-octyl-2,3-dihydro-1H-inden-5-yl)-5-nonylpyrimidine
CID 15456848
5-nonyl-2-(3,4,5-trifluoro-7-pentyl-9H-fluoren-2-yl)pyrimidine
CID 17841572
2-(3,4-difluoro-7-pentyl-9H-fluoren-2-yl)-5-nonylpyrimidine
CID 17841585
2-Octyl-5-[3-fluoro-4-(5-decylpyrimidine-2-yl)phenyl]indan
CID 20095022
2-Octyl-5-[2-fluoro-4-(5-decylpyrimidine-2-yl)phenyl]indan
CID 20095046
2-[2,3-difluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine
CID 22899582
2-[2-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine
CID 22899589
2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine
CID 22899596

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine (CID 11006790) is 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine is CCCCCCC1(CCCCCC)c2cc(-c3ncc(Br)cn3)ccc2-c2ccc(-c3ncc(Br)cn3)cc21.
What is the InChIKey of 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine?
The InChIKey is JPRNAUYSHROFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Br2N4/c1-3-5-7-9-15-33(16-10-8-6-4-2)29-17-23(31-36-19-25(34)20-37-31)11-13-27(29)28-14-12-24(18-30(28)33)32-38-21-26(35)22-39-32/h11-14,17-22H,3-10,15-16H2,1-2H3.
What are the key properties of 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine?
5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine has a molecular weight of 648.49 g/mol, XLogP of 10.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[7-(5-bromopyrimidin-2-yl)-9,9-dihexylfluoren-2-yl]pyrimidine is sourced from PubChem (CID 11006790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).