2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine

C44H38BrF2N — CID 166050839

IUPAC2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1cccc(-c3cc(-c4cccc(Br)c4)c(F)cc3F)n1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C44H38BrF2N/c1-42(2,3)29-18-20-32-33-21-19-30(43(4,5)6)24-37(33)44(36(32)23-29,28-13-8-7-9-14-28)41-17-11-16-40(48-41)35-25-34(38(46)26-39(35)47)27-12-10-15-31(45)22-27/h7-26H,1-6H3
InChIKeyAXLSVFOREQCATN-UHFFFAOYSA-N
MW698.70 g/mol
LogP12.41
Rot. Bonds4

About 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine

2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine (PubChem CID 166050839) has the molecular formula C44H38BrF2N and a molecular weight of 698.70 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine
PubChem CID166050839
Molecular FormulaC44H38BrF2N
Molecular Weight698.70 g/mol
Exact Mass697.22
IUPAC Name2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1cccc(-c3cc(-c4cccc(Br)c4)c(F)cc3F)n1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C44H38BrF2N/c1-42(2,3)29-18-20-32-33-21-19-30(43(4,5)6)24-37(33)44(36(32)23-29,28-13-8-7-9-14-28)41-17-11-16-40(48-41)35-25-34(38(46)26-39(35)47)27-12-10-15-31(45)22-27/h7-26H,1-6H3
InChIKeyAXLSVFOREQCATN-UHFFFAOYSA-N
XLogP12.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.70
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine with MolForge

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Related Compounds

(1S,14S,15S,18R,19R,22S,23R)-8-bromo-14,18-dimethyl-19-[(2R)-6-methylheptan-2-yl]-4-azahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaene
CID 71497773
4-[2',7'-Dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
CID 139183206
3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-YL)-9-(4-fluorophenyl)-9H-carbazole
CID 53416185
1-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline
CID 57953006
1-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline
CID 57953134
8-(3,5-Difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
CID 59747193
2-(9,9-Dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
2-[3-(Fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine
CID 70965176
13-(9,9-Dimethylfluoren-2-yl)-4-fluoro-3-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 89661966
2-(4-Fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazine
CID 89803524
2-(9,9-Dimethylfluoren-2-yl)-5-(4-fluoro-2-methylphenyl)-6-(4-fluorophenyl)-3-methylpyrazine
CID 117997432
CID 118133896
CID 118133896

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine?
The IUPAC name of 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine (CID 166050839) is 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine.
What is the SMILES notation for 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine?
The canonical SMILES for 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine is CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1cccc(-c3cc(-c4cccc(Br)c4)c(F)cc3F)n1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine?
The InChIKey is AXLSVFOREQCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38BrF2N/c1-42(2,3)29-18-20-32-33-21-19-30(43(4,5)6)24-37(33)44(36(32)23-29,28-13-8-7-9-14-28)41-17-11-16-40(48-41)35-25-34(38(46)26-39(35)47)27-12-10-15-31(45)22-27/h7-26H,1-6H3.
What are the key properties of 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine?
2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine has a molecular weight of 698.70 g/mol, XLogP of 12.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine is sourced from PubChem (CID 166050839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).