3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine

C22H21ClNOP — CID 169262167

IUPAC3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine
SMILESCC1(C)c2cc(-c3cncc(Cl)c3)ccc2-c2ccc(P(C)(C)=O)cc21
InChIInChI=1S/C22H21ClNOP/c1-22(2)20-10-14(15-9-16(23)13-24-12-15)5-7-18(20)19-8-6-17(11-21(19)22)26(3,4)25/h5-13H,1-4H3
InChIKeyCKIZTBWECRYXRF-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.96
Rot. Bonds2

About 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine

3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine (PubChem CID 169262167) has the molecular formula C22H21ClNOP and a molecular weight of 381.84 g/mol. Its IUPAC name is 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine
PubChem CID169262167
Molecular FormulaC22H21ClNOP
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine
SMILESCC1(C)c2cc(-c3cncc(Cl)c3)ccc2-c2ccc(P(C)(C)=O)cc21
InChIInChI=1S/C22H21ClNOP/c1-22(2)20-10-14(15-9-16(23)13-24-12-15)5-7-18(20)19-8-6-17(11-21(19)22)26(3,4)25/h5-13H,1-4H3
InChIKeyCKIZTBWECRYXRF-UHFFFAOYSA-N
XLogP5.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine 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-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
CID 169262128
3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine
CID 148908083
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
CID 164785748
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 164989703
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
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
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine
CID 134596151
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine?
The IUPAC name of 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine (CID 169262167) is 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine?
The canonical SMILES for 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine is CC1(C)c2cc(-c3cncc(Cl)c3)ccc2-c2ccc(P(C)(C)=O)cc21.
What is the InChIKey of 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine?
The InChIKey is CKIZTBWECRYXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClNOP/c1-22(2)20-10-14(15-9-16(23)13-24-12-15)5-7-18(20)19-8-6-17(11-21(19)22)26(3,4)25/h5-13H,1-4H3.
What are the key properties of 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine?
3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine has a molecular weight of 381.84 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(7-dimethylphosphoryl-9,9-dimethylfluoren-2-yl)pyridine is sourced from PubChem (CID 169262167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).