2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine

C43H38F2N2O — CID 132520058

IUPAC2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cc(-c4ccccn4)c(F)cc3F)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C43H38F2N2O/c1-41(2,3)27-16-18-31-32-19-17-28(42(4,5)6)24-35(32)43(34(31)23-27,40-15-8-10-21-47-40)29-12-11-13-30(22-29)48-39-25-33(36(44)26-37(39)45)38-14-7-9-20-46-38/h7-26H,1-6H3
InChIKeyLKDMPALSHFFQRV-UHFFFAOYSA-N
MW636.79 g/mol
LogP11.17
Rot. Bonds5

About 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine

2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine (PubChem CID 132520058) has the molecular formula C43H38F2N2O and a molecular weight of 636.79 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
PubChem CID132520058
Molecular FormulaC43H38F2N2O
Molecular Weight636.79 g/mol
Exact Mass636.30
IUPAC Name2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cc(-c4ccccn4)c(F)cc3F)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C43H38F2N2O/c1-41(2,3)27-16-18-31-32-19-17-28(42(4,5)6)24-35(32)43(34(31)23-27,40-15-8-10-21-47-40)29-12-11-13-30(22-29)48-39-25-33(36(44)26-37(39)45)38-14-7-9-20-46-38/h7-26H,1-6H3
InChIKeyLKDMPALSHFFQRV-UHFFFAOYSA-N
XLogP11.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine with MolForge

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Related Compounds

(3S,8S,9S,10R,13S,14S,17S)-17-(6-ethoxy-4-pyridin-3-yl-2-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 145952692
(3S,8S,9S,10R,13S,14S,17S)-17-(6-ethoxy-4-pyridin-4-yl-2-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 145952862
[(3S,8S,9S,10R,13S,14S,17S)-17-(6-ethoxy-4-pyridin-3-yl-2-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 145956809
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883
3-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-5-phenyl-6-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341899
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
6,6'-(4,4'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908885
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-methoxy-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908932
2-(4'-(Tert-butyl)-2'-(5-fluoropyridin-2-yl)-4-methoxy-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908933
2-(4-((Benzyloxy)methyl)-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908964

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine (CID 132520058) is 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine is CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cc(-c4ccccn4)c(F)cc3F)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine?
The InChIKey is LKDMPALSHFFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38F2N2O/c1-41(2,3)27-16-18-31-32-19-17-28(42(4,5)6)24-35(32)43(34(31)23-27,40-15-8-10-21-47-40)29-12-11-13-30(22-29)48-39-25-33(36(44)26-37(39)45)38-14-7-9-20-46-38/h7-26H,1-6H3.
What are the key properties of 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine?
2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine has a molecular weight of 636.79 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 132520058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).