4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine

C40H27BrN2 — CID 58692960

IUPAC4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine
SMILESBrc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/C40H27BrN2/c41-36-22-32(34-24-37(28-13-5-1-6-14-28)42-38(25-34)29-15-7-2-8-16-29)21-33(23-36)35-26-39(30-17-9-3-10-18-30)43-40(27-35)31-19-11-4-12-20-31/h1-27H
InChIKeyCEJMAFZLAJVBQF-UHFFFAOYSA-N
MW615.57 g/mol
LogP11.24
Rot. Bonds6

About 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine

4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine (PubChem CID 58692960) has the molecular formula C40H27BrN2 and a molecular weight of 615.57 g/mol. Its IUPAC name is 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine
PubChem CID58692960
Molecular FormulaC40H27BrN2
Molecular Weight615.57 g/mol
Exact Mass614.14
IUPAC Name4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine
SMILESBrc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/C40H27BrN2/c41-36-22-32(34-24-37(28-13-5-1-6-14-28)42-38(25-34)29-15-7-2-8-16-29)21-33(23-36)35-26-39(30-17-9-3-10-18-30)43-40(27-35)31-19-11-4-12-20-31/h1-27H
InChIKeyCEJMAFZLAJVBQF-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.57
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine (CID 58692960) is 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine is Brc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?
The InChIKey is CEJMAFZLAJVBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27BrN2/c41-36-22-32(34-24-37(28-13-5-1-6-14-28)42-38(25-34)29-15-7-2-8-16-29)21-33(23-36)35-26-39(30-17-9-3-10-18-30)43-40(27-35)31-19-11-4-12-20-31/h1-27H.
What are the key properties of 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?
4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine has a molecular weight of 615.57 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 58692960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).