5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine

C54H48N6 — CID 77054840

IUPAC5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
SMILESC=CCCc1ccccc1-c1ccc(-c2ccc(CCc3ccc(-c4ccc(CCc5ccc(-c6ccc(-c7ccccc7CCC=C)cn6)nc5)cn4)nc3)cn2)nc1
InChIInChI=1S/C54H48N6/c1-3-5-11-43-13-7-9-15-47(43)45-25-31-53(59-37-45)51-29-23-41(35-57-51)19-17-39-21-27-49(55-33-39)50-28-22-40(34-56-50)18-20-42-24-30-52(58-36-42)54-32-26-46(38-60-54)48-16-10-8-14-44(48)12-6-4-2/h3-4,7-10,13-16,21-38H,1-2,5-6,11-12,17-20H2
InChIKeyLGLMOUKZGKBKLY-UHFFFAOYSA-N
MW781.02 g/mol
LogP12.20
Rot. Bonds17

About 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine

5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine (PubChem CID 77054840) has the molecular formula C54H48N6 and a molecular weight of 781.02 g/mol. Its IUPAC name is 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
PubChem CID77054840
Molecular FormulaC54H48N6
Molecular Weight781.02 g/mol
Exact Mass780.39
IUPAC Name5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
SMILESC=CCCc1ccccc1-c1ccc(-c2ccc(CCc3ccc(-c4ccc(CCc5ccc(-c6ccc(-c7ccccc7CCC=C)cn6)nc5)cn4)nc3)cn2)nc1
InChIInChI=1S/C54H48N6/c1-3-5-11-43-13-7-9-15-47(43)45-25-31-53(59-37-45)51-29-23-41(35-57-51)19-17-39-21-27-49(55-33-39)50-28-22-40(34-56-50)18-20-42-24-30-52(58-36-42)54-32-26-46(38-60-54)48-16-10-8-14-44(48)12-6-4-2/h3-4,7-10,13-16,21-38H,1-2,5-6,11-12,17-20H2
InChIKeyLGLMOUKZGKBKLY-UHFFFAOYSA-N
XLogP12.20
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.02
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

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BC-1215
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2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
2-Isoquinolin-3-ylquinoline
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2,5-Dipyridin-2-ylpyridine
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4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
N-(2-pyridylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 76324529

Frequently Asked Questions

What is the IUPAC name of 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine (CID 77054840) is 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine is C=CCCc1ccccc1-c1ccc(-c2ccc(CCc3ccc(-c4ccc(CCc5ccc(-c6ccc(-c7ccccc7CCC=C)cn6)nc5)cn4)nc3)cn2)nc1.
What is the InChIKey of 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
The InChIKey is LGLMOUKZGKBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N6/c1-3-5-11-43-13-7-9-15-47(43)45-25-31-53(59-37-45)51-29-23-41(35-57-51)19-17-39-21-27-49(55-33-39)50-28-22-40(34-56-50)18-20-42-24-30-52(58-36-42)54-32-26-46(38-60-54)48-16-10-8-14-44(48)12-6-4-2/h3-4,7-10,13-16,21-38H,1-2,5-6,11-12,17-20H2.
What are the key properties of 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine has a molecular weight of 781.02 g/mol, XLogP of 12.20, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 77054840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).