2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine

C25H19ClN2 — CID 88556442

IUPAC2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc(Cl)n4)c3)cc21
InChIInChI=1S/C25H19ClN2/c1-25(2)21-9-4-3-8-19(21)20-11-10-17(15-22(20)25)16-6-5-7-18(14-16)23-12-13-27-24(26)28-23/h3-15H,1-2H3
InChIKeySJAMSUCDGMZEFD-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.77
Rot. Bonds2

About 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine

2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine (PubChem CID 88556442) has the molecular formula C25H19ClN2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
PubChem CID88556442
Molecular FormulaC25H19ClN2
Molecular Weight382.89 g/mol
Exact Mass382.12
IUPAC Name2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc(Cl)n4)c3)cc21
InChIInChI=1S/C25H19ClN2/c1-25(2)21-9-4-3-8-19(21)20-11-10-17(15-22(20)25)16-6-5-7-18(14-16)23-12-13-27-24(26)28-23/h3-15H,1-2H3
InChIKeySJAMSUCDGMZEFD-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]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-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747180
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-(9,9-dimethylfluoren-2-yl)-9-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167401
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine (CID 88556442) is 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc(Cl)n4)c3)cc21.
What is the InChIKey of 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
The InChIKey is SJAMSUCDGMZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2/c1-25(2)21-9-4-3-8-19(21)20-11-10-17(15-22(20)25)16-6-5-7-18(14-16)23-12-13-27-24(26)28-23/h3-15H,1-2H3.
What are the key properties of 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine has a molecular weight of 382.89 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 88556442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).