4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine

C73H73Br2N5 — CID 158830906

IUPAC4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine
SMILESBrc1cnc(-c2ccccc2)cc1Br.C=CCCCCc1ccc(-c2ccccc2)nc1.c1ccc(-c2ccc(CCCCCCc3cnc(-c4ccccc4)cc3CCCCCCc3ccc(-c4ccccc4)nc3)cn2)cc1
InChIInChI=1S/C45H47N3.C17H19N.C11H7Br2N/c1(8-18-36-28-30-43(46-33-36)38-20-12-5-13-21-38)3-10-26-41-32-45(40-24-16-7-17-25-40)48-35-42(41)27-11-4-2-9-19-37-29-31-44(47-34-37)39-22-14-6-15-23-39;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;12-9-6-11(14-7-10(9)13)8-4-2-1-3-5-8/h5-7,12-17,20-25,28-35H,1-4,8-11,18-19,26-27H2;2,5,7-8,10-14H,1,3-4,6,9H2;1-7H
InChIKeyIXAMGZRVJKQKFE-UHFFFAOYSA-N
MW1180.23 g/mol
LogP20.48
Rot. Bonds24

About 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine

4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine (PubChem CID 158830906) has the molecular formula C73H73Br2N5 and a molecular weight of 1180.23 g/mol. Its IUPAC name is 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine.

Molecular Properties

Compound Name4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine
PubChem CID158830906
Molecular FormulaC73H73Br2N5
Molecular Weight1180.23 g/mol
Exact Mass1177.42
IUPAC Name4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine
SMILESBrc1cnc(-c2ccccc2)cc1Br.C=CCCCCc1ccc(-c2ccccc2)nc1.c1ccc(-c2ccc(CCCCCCc3cnc(-c4ccccc4)cc3CCCCCCc3ccc(-c4ccccc4)nc3)cn2)cc1
InChIInChI=1S/C45H47N3.C17H19N.C11H7Br2N/c1(8-18-36-28-30-43(46-33-36)38-20-12-5-13-21-38)3-10-26-41-32-45(40-24-16-7-17-25-40)48-35-42(41)27-11-4-2-9-19-37-29-31-44(47-34-37)39-22-14-6-15-23-39;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;12-9-6-11(14-7-10(9)13)8-4-2-1-3-5-8/h5-7,12-17,20-25,28-35H,1-4,8-11,18-19,26-27H2;2,5,7-8,10-14H,1,3-4,6,9H2;1-7H
InChIKeyIXAMGZRVJKQKFE-UHFFFAOYSA-N
XLogP20.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.23
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine?
The IUPAC name of 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine (CID 158830906) is 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine.
What is the SMILES notation for 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine?
The canonical SMILES for 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine is Brc1cnc(-c2ccccc2)cc1Br.C=CCCCCc1ccc(-c2ccccc2)nc1.c1ccc(-c2ccc(CCCCCCc3cnc(-c4ccccc4)cc3CCCCCCc3ccc(-c4ccccc4)nc3)cn2)cc1.
What is the InChIKey of 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine?
The InChIKey is IXAMGZRVJKQKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N3.C17H19N.C11H7Br2N/c1(8-18-36-28-30-43(46-33-36)38-20-12-5-13-21-38)3-10-26-41-32-45(40-24-16-7-17-25-40)48-35-42(41)27-11-4-2-9-19-37-29-31-44(47-34-37)39-22-14-6-15-23-39;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;12-9-6-11(14-7-10(9)13)8-4-2-1-3-5-8/h5-7,12-17,20-25,28-35H,1-4,8-11,18-19,26-27H2;2,5,7-8,10-14H,1,3-4,6,9H2;1-7H.
What are the key properties of 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine?
4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine has a molecular weight of 1180.23 g/mol, XLogP of 20.48, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine is sourced from PubChem (CID 158830906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).