2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine

C24H15BrN2 — CID 58175271

IUPAC2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine
SMILESBrc1ccc2c(ccc3cc(-c4cccc(-c5ccncc5)n4)ccc32)c1
InChIInChI=1S/C24H15BrN2/c25-20-7-9-22-18(15-20)5-4-17-14-19(6-8-21(17)22)24-3-1-2-23(27-24)16-10-12-26-13-11-16/h1-15H
InChIKeyHHTPLKZYWDJYHK-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.88
Rot. Bonds2

About 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine

2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine (PubChem CID 58175271) has the molecular formula C24H15BrN2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine
PubChem CID58175271
Molecular FormulaC24H15BrN2
Molecular Weight411.30 g/mol
Exact Mass410.04
IUPAC Name2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine
SMILESBrc1ccc2c(ccc3cc(-c4cccc(-c5ccncc5)n4)ccc32)c1
InChIInChI=1S/C24H15BrN2/c25-20-7-9-22-18(15-20)5-4-17-14-19(6-8-21(17)22)24-3-1-2-23(27-24)16-10-12-26-13-11-16/h1-15H
InChIKeyHHTPLKZYWDJYHK-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(7-bromonaphthalen-2-yl)pyridine
CID 141295896
4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine
CID 160769700
4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
CID 158962834
9-[6-[6-(6-phenanthren-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480401
6-pyridin-4-ylnaphthalen-1-ol
CID 53321857
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
CID 134167550
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline
CID 89342106
2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid
CID 158106702
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141
2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole
CID 58175268
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine?
The IUPAC name of 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine (CID 58175271) is 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine.
What is the SMILES notation for 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine?
The canonical SMILES for 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine is Brc1ccc2c(ccc3cc(-c4cccc(-c5ccncc5)n4)ccc32)c1.
What is the InChIKey of 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine?
The InChIKey is HHTPLKZYWDJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2/c25-20-7-9-22-18(15-20)5-4-17-14-19(6-8-21(17)22)24-3-1-2-23(27-24)16-10-12-26-13-11-16/h1-15H.
What are the key properties of 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine?
2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine has a molecular weight of 411.30 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromophenanthren-2-yl)-6-pyridin-4-ylpyridine is sourced from PubChem (CID 58175271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).