3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine

C35H24BrN — CID 59638587

IUPAC3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1
InChIInChI=1S/C35H24BrN/c36-35-16-6-14-30(23-35)34-21-32(28-12-4-10-26(18-28)25-8-2-1-3-9-25)20-33(22-34)29-13-5-11-27(19-29)31-15-7-17-37-24-31/h1-24H
InChIKeyFUVNINXVVHRKFK-UHFFFAOYSA-N
MW538.49 g/mol
LogP10.18
Rot. Bonds5

About 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine

3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine (PubChem CID 59638587) has the molecular formula C35H24BrN and a molecular weight of 538.49 g/mol. Its IUPAC name is 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine
PubChem CID59638587
Molecular FormulaC35H24BrN
Molecular Weight538.49 g/mol
Exact Mass537.11
IUPAC Name3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1
InChIInChI=1S/C35H24BrN/c36-35-16-6-14-30(23-35)34-21-32(28-12-4-10-26(18-28)25-8-2-1-3-9-25)20-33(22-34)29-13-5-11-27(19-29)31-15-7-17-37-24-31/h1-24H
InChIKeyFUVNINXVVHRKFK-UHFFFAOYSA-N
XLogP10.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.49
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine (CID 59638587) is 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine is Brc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.
What is the InChIKey of 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine?
The InChIKey is FUVNINXVVHRKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN/c36-35-16-6-14-30(23-35)34-21-32(28-12-4-10-26(18-28)25-8-2-1-3-9-25)20-33(22-34)29-13-5-11-27(19-29)31-15-7-17-37-24-31/h1-24H.
What are the key properties of 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine?
3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine has a molecular weight of 538.49 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 59638587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).