dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide

C28H29Cl2N2OZr- — CID 58543759

IUPACdichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide
SMILESCCc1cccc(CC)c1[N-]Cc1cccc(-c2c(C(C)O)ccc3ccccc23)n1.Cl[Zr]Cl
InChIInChI=1S/C28H29N2O.2ClH.Zr/c1-4-20-11-8-12-21(5-2)28(20)29-18-23-13-9-15-26(30-23)27-24(19(3)31)17-16-22-10-6-7-14-25(22)27;;;/h6-17,19,31H,4-5,18H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyXNRQSGWKFOHVOG-UHFFFAOYSA-L
MW571.68 g/mol
LogP8.66
Rot. Bonds7

About dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide

dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide (PubChem CID 58543759) has the molecular formula C28H29Cl2N2OZr- and a molecular weight of 571.68 g/mol. Its IUPAC name is dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide.

Molecular Properties

Compound Namedichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide
PubChem CID58543759
Molecular FormulaC28H29Cl2N2OZr-
Molecular Weight571.68 g/mol
Exact Mass569.07
IUPAC Namedichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide
SMILESCCc1cccc(CC)c1[N-]Cc1cccc(-c2c(C(C)O)ccc3ccccc23)n1.Cl[Zr]Cl
InChIInChI=1S/C28H29N2O.2ClH.Zr/c1-4-20-11-8-12-21(5-2)28(20)29-18-23-13-9-15-26(30-23)27-24(19(3)31)17-16-22-10-6-7-14-25(22)27;;;/h6-17,19,31H,4-5,18H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyXNRQSGWKFOHVOG-UHFFFAOYSA-L
XLogP8.66
TPSA47.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide with MolForge

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Related Compounds

(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
CID 106438840
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
azane;1-ethylnaphthalene
CID 19048185
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
CID 63365420
1-ethylnaphthalene;pyrene
CID 174849884
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
CID 78933491
N-[[6-[2-[(2-methylanilino)methyl]naphthalen-1-yl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 66796052
1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol
CID 173050837
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide?
The IUPAC name of dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide (CID 58543759) is dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide.
What is the SMILES notation for dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide?
The canonical SMILES for dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide is CCc1cccc(CC)c1[N-]Cc1cccc(-c2c(C(C)O)ccc3ccccc23)n1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide?
The InChIKey is XNRQSGWKFOHVOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H29N2O.2ClH.Zr/c1-4-20-11-8-12-21(5-2)28(20)29-18-23-13-9-15-26(30-23)27-24(19(3)31)17-16-22-10-6-7-14-25(22)27;;;/h6-17,19,31H,4-5,18H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide?
dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide has a molecular weight of 571.68 g/mol, XLogP of 8.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;(2,6-diethylphenyl)-[[6-[2-(1-hydroxyethyl)naphthalen-1-yl]-2-pyridinyl]methyl]azanide is sourced from PubChem (CID 58543759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).