4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane

C82H90BBrN2O2 — CID 158049773

IUPAC4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccnc(-c5ccccc5)c4)c(C)c3)cc2)cc1.CCCCCCCCc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1.Cc1cc(Br)ccc1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C38H39N.C26H37BO2.C18H14BrN/c1-3-4-5-6-7-9-12-30-15-17-31(18-16-30)32-19-21-33(22-20-32)35-23-24-37(29(2)27-35)36-25-26-39-38(28-36)34-13-10-8-11-14-34;1-6-7-8-9-10-11-12-21-13-15-22(16-14-21)23-17-19-24(20-18-23)27-28-25(2,3)26(4,5)29-27;1-13-11-16(19)7-8-17(13)15-9-10-20-18(12-15)14-5-3-2-4-6-14/h8,10-11,13-28H,3-7,9,12H2,1-2H3;13-20H,6-12H2,1-5H3;2-12H,1H3
InChIKeyFJILIFXURUOJRA-UHFFFAOYSA-N
MW1226.35 g/mol
LogP23.00
Rot. Bonds22

About 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane

4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 158049773) has the molecular formula C82H90BBrN2O2 and a molecular weight of 1226.35 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane
PubChem CID158049773
Molecular FormulaC82H90BBrN2O2
Molecular Weight1226.35 g/mol
Exact Mass1224.63
IUPAC Name4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccnc(-c5ccccc5)c4)c(C)c3)cc2)cc1.CCCCCCCCc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1.Cc1cc(Br)ccc1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C38H39N.C26H37BO2.C18H14BrN/c1-3-4-5-6-7-9-12-30-15-17-31(18-16-30)32-19-21-33(22-20-32)35-23-24-37(29(2)27-35)36-25-26-39-38(28-36)34-13-10-8-11-14-34;1-6-7-8-9-10-11-12-21-13-15-22(16-14-21)23-17-19-24(20-18-23)27-28-25(2,3)26(4,5)29-27;1-13-11-16(19)7-8-17(13)15-9-10-20-18(12-15)14-5-3-2-4-6-14/h8,10-11,13-28H,3-7,9,12H2,1-2H3;13-20H,6-12H2,1-5H3;2-12H,1H3
InChIKeyFJILIFXURUOJRA-UHFFFAOYSA-N
XLogP23.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001226.35
LogP ≤ 523.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
5-(4-Fluorophenyl)-2-[4-[2-[3-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methylpyridine
CID 141674046
4-(3-Bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline;3-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-(trifluoromethyl)quinoline
CID 160246527
2-Bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)
CID 161100605
2-(4-Fluorophenyl)-5-[2-[3-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-4-methylpyridine
CID 165148586
2-(4-Fluorophenyl)-5-[2-[3-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pyridine
CID 165148701
2-(2,4-Difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pyridine
CID 165148819
2,2'-(4,4'-Dibromo-[1,1'-biphenyl]-2,2'-diyl)bis(3-methylpyridine)
CID 155908936
3-(4-bromophenyl)-N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-1-amine
CID 166447170
2-(4-Bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 167529988
10,10'-Dibromo-2,2'-di(pyridin-2-yl)-9,9'-bianthryl
CID 172433031
5-[2-[3,5-Bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
CID 140838547

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane (CID 158049773) is 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane is CCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccnc(-c5ccccc5)c4)c(C)c3)cc2)cc1.CCCCCCCCc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1.Cc1cc(Br)ccc1-c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is FJILIFXURUOJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N.C26H37BO2.C18H14BrN/c1-3-4-5-6-7-9-12-30-15-17-31(18-16-30)32-19-21-33(22-20-32)35-23-24-37(29(2)27-35)36-25-26-39-38(28-36)34-13-10-8-11-14-34;1-6-7-8-9-10-11-12-21-13-15-22(16-14-21)23-17-19-24(20-18-23)27-28-25(2,3)26(4,5)29-27;1-13-11-16(19)7-8-17(13)15-9-10-20-18(12-15)14-5-3-2-4-6-14/h8,10-11,13-28H,3-7,9,12H2,1-2H3;13-20H,6-12H2,1-5H3;2-12H,1H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane?
4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1226.35 g/mol, XLogP of 23.00, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)-2-phenylpyridine;4-[2-methyl-4-[4-(4-octylphenyl)phenyl]phenyl]-2-phenylpyridine;4,4,5,5-tetramethyl-2-[4-(4-octylphenyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158049773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).