bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium

C46H32N2O4V — CID 23529677

IUPACbis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium
SMILESOc1cccc(C#C/C=C/C#Cc2cccc(O)c2)c1.Oc1cccc(C#C/C=C/C#Cc2cccc(O)c2)c1.[V].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C18H12O2.C10H8N2.V/c2*19-17-11-5-9-15(13-17)7-3-1-2-4-8-16-10-6-12-18(20)14-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-2,5-6,9-14,19-20H;1-8H;/b2*2-1+;;
InChIKeySOJHCHMZKFGGEP-WOGKQDBSSA-N
MW727.72 g/mol
LogP8.26
Rot. Bonds1

About bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium

bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium (PubChem CID 23529677) has the molecular formula C46H32N2O4V and a molecular weight of 727.72 g/mol. Its IUPAC name is bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium.

Molecular Properties

Compound Namebis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium
PubChem CID23529677
Molecular FormulaC46H32N2O4V
Molecular Weight727.72 g/mol
Exact Mass727.18
IUPAC Namebis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium
SMILESOc1cccc(C#C/C=C/C#Cc2cccc(O)c2)c1.Oc1cccc(C#C/C=C/C#Cc2cccc(O)c2)c1.[V].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C18H12O2.C10H8N2.V/c2*19-17-11-5-9-15(13-17)7-3-1-2-4-8-16-10-6-12-18(20)14-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-2,5-6,9-14,19-20H;1-8H;/b2*2-1+;;
InChIKeySOJHCHMZKFGGEP-WOGKQDBSSA-N
XLogP8.26
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.72
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
3-[2-(3-Methylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]phenol
CID 44453455
3-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091038
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 122179982
3-(4-pyridin-2-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 122183827
3-(4-pyridin-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 122183828
3-(2-pyridin-4-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 134148169
3-(2-pyridin-3-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 134156350
2-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036

Frequently Asked Questions

What is the IUPAC name of bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium?
The IUPAC name of bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium (CID 23529677) is bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium.
What is the SMILES notation for bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium?
The canonical SMILES for bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium is Oc1cccc(C#C/C=C/C#Cc2cccc(O)c2)c1.Oc1cccc(C#C/C=C/C#Cc2cccc(O)c2)c1.[V].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium?
The InChIKey is SOJHCHMZKFGGEP-WOGKQDBSSA-N. The full InChI is InChI=1S/2C18H12O2.C10H8N2.V/c2*19-17-11-5-9-15(13-17)7-3-1-2-4-8-16-10-6-12-18(20)14-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-2,5-6,9-14,19-20H;1-8H;/b2*2-1+;;.
What are the key properties of bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium?
bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium has a molecular weight of 727.72 g/mol, XLogP of 8.26, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium is sourced from PubChem (CID 23529677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).