carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol

C43H35HfNO2-2 — CID 154622833

IUPACcarbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1ccccc1-c1cccc(-c2ccccc2-c2cccc(-c3ccccc3)c2O)n1.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C41H29NO2.2CH3.Hf/c43-40-30(28-14-3-1-4-15-28)22-11-24-36(40)32-18-7-9-20-34(32)38-26-13-27-39(42-38)35-21-10-8-19-33(35)37-25-12-23-31(41(37)44)29-16-5-2-6-17-29;;;/h1-27,43-44H;2*1H3;/q;2*-1;
InChIKeyBDYSEFIVYDQLQG-UHFFFAOYSA-N
MW776.25 g/mol
LogP11.39
Rot. Bonds6

About carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol

carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol (PubChem CID 154622833) has the molecular formula C43H35HfNO2-2 and a molecular weight of 776.25 g/mol. Its IUPAC name is carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol.

Molecular Properties

Compound Namecarbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
PubChem CID154622833
Molecular FormulaC43H35HfNO2-2
Molecular Weight776.25 g/mol
Exact Mass777.21
IUPAC Namecarbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1ccccc1-c1cccc(-c2ccccc2-c2cccc(-c3ccccc3)c2O)n1.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C41H29NO2.2CH3.Hf/c43-40-30(28-14-3-1-4-15-28)22-11-24-36(40)32-18-7-9-20-34(32)38-26-13-27-39(42-38)35-21-10-8-19-33(35)37-25-12-23-31(41(37)44)29-16-5-2-6-17-29;;;/h1-27,43-44H;2*1H3;/q;2*-1;
InChIKeyBDYSEFIVYDQLQG-UHFFFAOYSA-N
XLogP11.39
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.25
LogP ≤ 511.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenylphenyl)-6-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 141341209
2,6-bis(2-pyridin-2-ylphenyl)phenol
CID 175876654
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622877
bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
CID 134902847
[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid
CID 171734296
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352
2-methyl-6-phenylphenol
CID 12592481
carbanide;2-[2-[2-[4-[2-(2-hydroxy-5-methyl-3-phenylphenyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-6-phenylphenol;zirconium(2+)
CID 169283759
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129

Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol?
The IUPAC name of carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol (CID 154622833) is carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol.
What is the SMILES notation for carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol?
The canonical SMILES for carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol is Oc1c(-c2ccccc2)cccc1-c1ccccc1-c1cccc(-c2ccccc2-c2cccc(-c3ccccc3)c2O)n1.[CH3-].[CH3-].[Hf].
What is the InChIKey of carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol?
The InChIKey is BDYSEFIVYDQLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO2.2CH3.Hf/c43-40-30(28-14-3-1-4-15-28)22-11-24-36(40)32-18-7-9-20-34(32)38-26-13-27-39(42-38)35-21-10-8-19-33(35)37-25-12-23-31(41(37)44)29-16-5-2-6-17-29;;;/h1-27,43-44H;2*1H3;/q;2*-1;.
What are the key properties of carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol?
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol has a molecular weight of 776.25 g/mol, XLogP of 11.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol is sourced from PubChem (CID 154622833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).