4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine

C32H20Br2N4 — CID 59629361

IUPAC4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESBrc1cccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cccc(Br)c4)cc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C32H20Br2N4/c33-25-9-5-7-21(15-25)23-17-29(27-11-1-3-13-35-27)37-31(19-23)32-20-24(22-8-6-10-26(34)16-22)18-30(38-32)28-12-2-4-14-36-28/h1-20H
InChIKeyBSGZJFPAYSFODI-UHFFFAOYSA-N
MW620.35 g/mol
LogP9.13
Rot. Bonds5

About 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine

4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 59629361) has the molecular formula C32H20Br2N4 and a molecular weight of 620.35 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
PubChem CID59629361
Molecular FormulaC32H20Br2N4
Molecular Weight620.35 g/mol
Exact Mass618.01
IUPAC Name4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESBrc1cccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cccc(Br)c4)cc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C32H20Br2N4/c33-25-9-5-7-21(15-25)23-17-29(27-11-1-3-13-35-27)37-31(19-23)32-20-24(22-8-6-10-26(34)16-22)18-30(38-32)28-12-2-4-14-36-28/h1-20H
InChIKeyBSGZJFPAYSFODI-UHFFFAOYSA-N
XLogP9.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.35
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 59629361) is 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine is Brc1cccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cccc(Br)c4)cc(-c4ccccn4)n3)c2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?
The InChIKey is BSGZJFPAYSFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Br2N4/c33-25-9-5-7-21(15-25)23-17-29(27-11-1-3-13-35-27)37-31(19-23)32-20-24(22-8-6-10-26(34)16-22)18-30(38-32)28-12-2-4-14-36-28/h1-20H.
What are the key properties of 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?
4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine has a molecular weight of 620.35 g/mol, XLogP of 9.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 59629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).