[(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane

C56H42B2N2 — CID 140561966

IUPAC[(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane
SMILESC(=C(\B(c1ccccc1)c1ccccc1)c1ccccc1)\c1cccnc1-c1cccc(-c2ncccc2/C=C(\B(c2ccccc2)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C56H42B2N2/c1-7-22-43(23-8-1)53(57(49-30-11-3-12-31-49)50-32-13-4-14-33-50)41-47-28-20-38-59-55(47)45-26-19-27-46(40-45)56-48(29-21-39-60-56)42-54(44-24-9-2-10-25-44)58(51-34-15-5-16-35-51)52-36-17-6-18-37-52/h1-42H/b53-41-,54-42-
InChIKeySUTSFRJISAHECL-NRZRAEFUSA-N
MW764.59 g/mol
LogP10.59
Rot. Bonds12

About [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane

[(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane (PubChem CID 140561966) has the molecular formula C56H42B2N2 and a molecular weight of 764.59 g/mol. Its IUPAC name is [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane.

Molecular Properties

Compound Name[(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane
PubChem CID140561966
Molecular FormulaC56H42B2N2
Molecular Weight764.59 g/mol
Exact Mass764.35
IUPAC Name[(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane
SMILESC(=C(\B(c1ccccc1)c1ccccc1)c1ccccc1)\c1cccnc1-c1cccc(-c2ncccc2/C=C(\B(c2ccccc2)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C56H42B2N2/c1-7-22-43(23-8-1)53(57(49-30-11-3-12-31-49)50-32-13-4-14-33-50)41-47-28-20-38-59-55(47)45-26-19-27-46(40-45)56-48(29-21-39-60-56)42-54(44-24-9-2-10-25-44)58(51-34-15-5-16-35-51)52-36-17-6-18-37-52/h1-42H/b53-41-,54-42-
InChIKeySUTSFRJISAHECL-NRZRAEFUSA-N
XLogP10.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.59
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylpyridine-3-carbothialdehyde
CID 154490649
2-[3-(bromomethyl)phenyl]pyridine-3-carbaldehyde
CID 82378817
2-(3-nitrophenyl)pyridine-3-carbaldehyde
CID 2764566
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane
CID 24828915
2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde
CID 54361520
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
(3,5-diphenylphenyl)-[3-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587200
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
trimethyl-[2-(3-phenylphenyl)-3-pyridinyl]silane
CID 140719583
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane?
The IUPAC name of [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane (CID 140561966) is [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane.
What is the SMILES notation for [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane?
The canonical SMILES for [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane is C(=C(\B(c1ccccc1)c1ccccc1)c1ccccc1)\c1cccnc1-c1cccc(-c2ncccc2/C=C(\B(c2ccccc2)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane?
The InChIKey is SUTSFRJISAHECL-NRZRAEFUSA-N. The full InChI is InChI=1S/C56H42B2N2/c1-7-22-43(23-8-1)53(57(49-30-11-3-12-31-49)50-32-13-4-14-33-50)41-47-28-20-38-59-55(47)45-26-19-27-46(40-45)56-48(29-21-39-60-56)42-54(44-24-9-2-10-25-44)58(51-34-15-5-16-35-51)52-36-17-6-18-37-52/h1-42H/b53-41-,54-42-.
What are the key properties of [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane?
[(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane has a molecular weight of 764.59 g/mol, XLogP of 10.59, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[2-[3-[3-[(E)-2-diphenylboranyl-2-phenylethenyl]-2-pyridinyl]phenyl]-3-pyridinyl]-1-phenylethenyl]-diphenylborane is sourced from PubChem (CID 140561966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).