bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron

C46H54Cl2CrN5O5+ — CID 71301277

IUPACbis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron
SMILESCCCCCCCCCCCCNCCO.O=C1C=Cc2ccccc2/C1=N/Nc1cc(Cl)ccc1O.O=C1C=Cc2ccccc2/C1=N/Nc1cc(Cl)ccc1O.[Cr].[H+]
InChIInChI=1S/2C16H11ClN2O2.C14H31NO.Cr/c2*17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16;/h2*1-9,18,20H;15-16H,2-14H2,1H3;/p+1/b2*19-16-;;
InChIKeyZXAJIHYQRDVDPL-SSDPRLEPSA-O
MW879.87 g/mol
LogP10.51
Rot. Bonds17

About bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron

bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron (PubChem CID 71301277) has the molecular formula C46H54Cl2CrN5O5+ and a molecular weight of 879.87 g/mol. Its IUPAC name is bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron.

Molecular Properties

Compound Namebis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron
PubChem CID71301277
Molecular FormulaC46H54Cl2CrN5O5+
Molecular Weight879.87 g/mol
Exact Mass878.29
IUPAC Namebis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron
SMILESCCCCCCCCCCCCNCCO.O=C1C=Cc2ccccc2/C1=N/Nc1cc(Cl)ccc1O.O=C1C=Cc2ccccc2/C1=N/Nc1cc(Cl)ccc1O.[Cr].[H+]
InChIInChI=1S/2C16H11ClN2O2.C14H31NO.Cr/c2*17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16;/h2*1-9,18,20H;15-16H,2-14H2,1H3;/p+1/b2*19-16-;;
InChIKeyZXAJIHYQRDVDPL-SSDPRLEPSA-O
XLogP10.51
TPSA155.64 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.87
LogP ≤ 510.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

sodium;cobalt;(1Z)-1-[(5-ethylsulfonyl-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one;[(8Z)-8-[(5-ethylsulfonyl-2-hydroxyphenyl)hydrazinylidene]-7-oxonaphthalen-1-yl]methyl N-methylcarbamate
CID 119057977
5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]benzenesulfonic acid
CID 6857887
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
2,4-dichlorophenol;2-(2-hydroxyethylamino)ethanol
CID 70614272
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
1-chloropentane;naphthalene-1,2-dione
CID 174978866
(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
CID 5489146
5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 6305577
1,4-dihydroxy-2-(octylamino)anthracene-9,10-dione
CID 12678915
4-(butylamino)butan-1-ol;1,2-dichlorobenzene
CID 166462109
2-(hexadecylamino)phenol
CID 154256819

Frequently Asked Questions

What is the IUPAC name of bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron?
The IUPAC name of bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron (CID 71301277) is bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron.
What is the SMILES notation for bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron?
The canonical SMILES for bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron is CCCCCCCCCCCCNCCO.O=C1C=Cc2ccccc2/C1=N/Nc1cc(Cl)ccc1O.O=C1C=Cc2ccccc2/C1=N/Nc1cc(Cl)ccc1O.[Cr].[H+].
What is the InChIKey of bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron?
The InChIKey is ZXAJIHYQRDVDPL-SSDPRLEPSA-O. The full InChI is InChI=1S/2C16H11ClN2O2.C14H31NO.Cr/c2*17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16;/h2*1-9,18,20H;15-16H,2-14H2,1H3;/p+1/b2*19-16-;;.
What are the key properties of bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron?
bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron has a molecular weight of 879.87 g/mol, XLogP of 10.51, 17 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron is sourced from PubChem (CID 71301277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).