dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine

C33H33Cl2CoN2P — CID 158379041

IUPACdichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Co]Cl
InChIInChI=1S/C33H33N2P.2ClH.Co/c1-26-14-8-9-15-27(26)24-34-31-21-11-12-22-32(31)35-25-28-16-10-13-23-33(28)36(29-17-4-2-5-18-29)30-19-6-3-7-20-30;;;/h2-10,13-20,23-25,31-32H,11-12,21-22H2,1H3;2*1H;/q;;;+2/p-2/b34-24+,35-25-;;;
InChIKeyGVOFEPUJBGZRHE-JLSWKRROSA-L
MW618.45 g/mol
LogP7.98
Rot. Bonds7

About dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine

dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine (PubChem CID 158379041) has the molecular formula C33H33Cl2CoN2P and a molecular weight of 618.45 g/mol. Its IUPAC name is dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Namedichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine
PubChem CID158379041
Molecular FormulaC33H33Cl2CoN2P
Molecular Weight618.45 g/mol
Exact Mass617.11
IUPAC Namedichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Co]Cl
InChIInChI=1S/C33H33N2P.2ClH.Co/c1-26-14-8-9-15-27(26)24-34-31-21-11-12-22-32(31)35-25-28-16-10-13-23-33(28)36(29-17-4-2-5-18-29)30-19-6-3-7-20-30;;;/h2-10,13-20,23-25,31-32H,11-12,21-22H2,1H3;2*1H;/q;;;+2/p-2/b34-24+,35-25-;;;
InChIKeyGVOFEPUJBGZRHE-JLSWKRROSA-L
XLogP7.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.45
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N1,N2-Bis((2-(diphenylphosphino)phenyl)methylene)-1,2-ethanediamine
CID 3255348
trans-N,N'-Bis(2-diphenylphosphanylbenzylidene)cyclohexane-1,2-diamine
CID 11285891
(1S)-1alpha,2beta-Bis[2-(diphenylphosphino)benzylideneamino]cyclohexane
CID 11332064
(4R,9R,18R,23R,32R,37R)-3,10,17,24,31,38-hexazaheptacyclo[38.2.2.212,15.226,29.04,9.018,23.032,37]octatetraconta-1(43),2,10,12,14,16,24,26(46),27,29(45),30,38,40(44),41,47-pentadecaene
CID 10770370
chlororuthenium(1+);1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;hexafluorophosphate
CID 11332063
N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine
CID 102420051
(5S,8S,13E,14aS,18aS,19E)-5,8-Diphenyl-5,6,7,8,14a,15,16,17,18,18a-decahydrotribenzo[b,f,l][1,4]diaza[8,11]diphosphacyclotetradecine
CID 122368051
(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene
CID 122368052
(4S,9S)-18,21-diphenyl-3,10-diaza-18,21-diphosphatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),2,10,12,14,16,22,24-octaene
CID 135031956
N-[[2-[[(1R,2R)-2-[[2-[[di(propan-2-yl)amino]-phenylphosphoryl]phenyl]methylideneamino]cyclohexyl]iminomethyl]phenyl]-phenylphosphoryl]-N-propan-2-ylpropan-2-amine
CID 139037946
(4S,9S)-18,21-diphenyl-3,10-diaza-18,21-diphosphatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),2,10,12,14,16,22,24-octaene
CID 139044517
chloroform;(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene
CID 139111254

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine?
The IUPAC name of dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine (CID 158379041) is dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine.
What is the SMILES notation for dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine?
The canonical SMILES for dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine is Cc1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Co]Cl.
What is the InChIKey of dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine?
The InChIKey is GVOFEPUJBGZRHE-JLSWKRROSA-L. The full InChI is InChI=1S/C33H33N2P.2ClH.Co/c1-26-14-8-9-15-27(26)24-34-31-21-11-12-22-32(31)35-25-28-16-10-13-23-33(28)36(29-17-4-2-5-18-29)30-19-6-3-7-20-30;;;/h2-10,13-20,23-25,31-32H,11-12,21-22H2,1H3;2*1H;/q;;;+2/p-2/b34-24+,35-25-;;;.
What are the key properties of dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine?
dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine has a molecular weight of 618.45 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;N-[2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 158379041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).