4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine

C26H16Br2N2 — CID 71623253

IUPAC4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine
SMILESBrc1ccc(-c2c(-c3ccncc3)cc3ccc(Br)cc3c2-c2ccncc2)cc1
InChIInChI=1S/C26H16Br2N2/c27-21-4-1-18(2-5-21)25-23(17-7-11-29-12-8-17)15-20-3-6-22(28)16-24(20)26(25)19-9-13-30-14-10-19/h1-16H
InChIKeyNZLJFXZTNNVMIJ-UHFFFAOYSA-N
MW516.24 g/mol
LogP8.16
Rot. Bonds3

About 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine

4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine (PubChem CID 71623253) has the molecular formula C26H16Br2N2 and a molecular weight of 516.24 g/mol. Its IUPAC name is 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine.

Molecular Properties

Compound Name4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine
PubChem CID71623253
Molecular FormulaC26H16Br2N2
Molecular Weight516.24 g/mol
Exact Mass513.97
IUPAC Name4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine
SMILESBrc1ccc(-c2c(-c3ccncc3)cc3ccc(Br)cc3c2-c2ccncc2)cc1
InChIInChI=1S/C26H16Br2N2/c27-21-4-1-18(2-5-21)25-23(17-7-11-29-12-8-17)15-20-3-6-22(28)16-24(20)26(25)19-9-13-30-14-10-19/h1-16H
InChIKeyNZLJFXZTNNVMIJ-UHFFFAOYSA-N
XLogP8.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.24
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine?
The IUPAC name of 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine (CID 71623253) is 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine.
What is the SMILES notation for 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine?
The canonical SMILES for 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine is Brc1ccc(-c2c(-c3ccncc3)cc3ccc(Br)cc3c2-c2ccncc2)cc1.
What is the InChIKey of 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine?
The InChIKey is NZLJFXZTNNVMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br2N2/c27-21-4-1-18(2-5-21)25-23(17-7-11-29-12-8-17)15-20-3-6-22(28)16-24(20)26(25)19-9-13-30-14-10-19/h1-16H.
What are the key properties of 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine?
4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine has a molecular weight of 516.24 g/mol, XLogP of 8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-(4-bromophenyl)-4-pyridin-4-ylnaphthalen-2-yl]pyridine is sourced from PubChem (CID 71623253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).