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

C47H33BrN2 — CID 139352190

IUPAC5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2-c2cc(Br)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)cn1
InChIInChI=1S/C47H33BrN2/c1-32-25-43(33-15-5-2-6-16-33)45(30-49-32)41-23-13-11-21-39(41)36-26-37(28-38(48)27-36)40-22-12-14-24-42(40)46-31-50-47(35-19-9-4-10-20-35)29-44(46)34-17-7-3-8-18-34/h2-31H,1H3
InChIKeyJYXAYWSCGMKZAF-UHFFFAOYSA-N
MW705.70 g/mol
LogP13.22
Rot. Bonds7

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

5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine (PubChem CID 139352190) has the molecular formula C47H33BrN2 and a molecular weight of 705.70 g/mol. Its IUPAC name is 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine.

Molecular Properties

Compound Name5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine
PubChem CID139352190
Molecular FormulaC47H33BrN2
Molecular Weight705.70 g/mol
Exact Mass704.18
IUPAC Name5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2-c2cc(Br)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)cn1
InChIInChI=1S/C47H33BrN2/c1-32-25-43(33-15-5-2-6-16-33)45(30-49-32)41-23-13-11-21-39(41)36-26-37(28-38(48)27-36)40-22-12-14-24-42(40)46-31-50-47(35-19-9-4-10-20-35)29-44(46)34-17-7-3-8-18-34/h2-31H,1H3
InChIKeyJYXAYWSCGMKZAF-UHFFFAOYSA-N
XLogP13.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.70
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine?
The IUPAC name of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine (CID 139352190) is 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine.
What is the SMILES notation for 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine?
The canonical SMILES for 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine is Cc1cc(-c2ccccc2)c(-c2ccccc2-c2cc(Br)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)cn1.
What is the InChIKey of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine?
The InChIKey is JYXAYWSCGMKZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33BrN2/c1-32-25-43(33-15-5-2-6-16-33)45(30-49-32)41-23-13-11-21-39(41)36-26-37(28-38(48)27-36)40-22-12-14-24-42(40)46-31-50-47(35-19-9-4-10-20-35)29-44(46)34-17-7-3-8-18-34/h2-31H,1H3.
What are the key properties of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine?
5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine has a molecular weight of 705.70 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine is sourced from PubChem (CID 139352190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).