pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol

C90H73Br10N5O5Ti5 — CID 159734302

IUPACpentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol
SMILESBr[Ti]Br.Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Cc1cccc(/C=N/c2cccc3ccccc23)c1O.Cc1ccccc1/N=C/c1ccccc1O.Cc1ccccc1/N=C/c1ccccc1O.Oc1c(/C=N/c2cccc3ccccc23)cccc1-c1ccccc1.Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C23H17NO.C21H15NO.C18H15NO.2C14H13NO.10BrH.5Ti/c25-23-19(12-6-14-21(23)18-8-2-1-3-9-18)16-24-22-15-7-11-17-10-4-5-13-20(17)22;23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20;1-13-6-4-9-15(18(13)20)12-19-17-11-5-8-14-7-2-3-10-16(14)17;2*1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;;;;;;;;;;;;;;;/h1-16,25H;1-14,23H;2-12,20H,1H3;2*2-10,16H,1H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b24-16+;22-14+;19-12+;2*15-10+;;;;;;;;;;;;;;;
InChIKeyHKIJKEWUTRRUSN-PGIGFEHNSA-D
MW2342.98 g/mol
LogP31.36
Rot. Bonds11

About pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol

pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol (PubChem CID 159734302) has the molecular formula C90H73Br10N5O5Ti5 and a molecular weight of 2342.98 g/mol. Its IUPAC name is pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol.

Molecular Properties

Compound Namepentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol
PubChem CID159734302
Molecular FormulaC90H73Br10N5O5Ti5
Molecular Weight2342.98 g/mol
Exact Mass2332.48
IUPAC Namepentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol
SMILESBr[Ti]Br.Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Cc1cccc(/C=N/c2cccc3ccccc23)c1O.Cc1ccccc1/N=C/c1ccccc1O.Cc1ccccc1/N=C/c1ccccc1O.Oc1c(/C=N/c2cccc3ccccc23)cccc1-c1ccccc1.Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C23H17NO.C21H15NO.C18H15NO.2C14H13NO.10BrH.5Ti/c25-23-19(12-6-14-21(23)18-8-2-1-3-9-18)16-24-22-15-7-11-17-10-4-5-13-20(17)22;23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20;1-13-6-4-9-15(18(13)20)12-19-17-11-5-8-14-7-2-3-10-16(14)17;2*1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;;;;;;;;;;;;;;;/h1-16,25H;1-14,23H;2-12,20H,1H3;2*2-10,16H,1H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b24-16+;22-14+;19-12+;2*15-10+;;;;;;;;;;;;;;;
InChIKeyHKIJKEWUTRRUSN-PGIGFEHNSA-D
XLogP31.36
TPSA162.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002342.98
LogP ≤ 531.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol?
The IUPAC name of pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol (CID 159734302) is pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol.
What is the SMILES notation for pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol?
The canonical SMILES for pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol is Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Br[Ti]Br.Cc1cccc(/C=N/c2cccc3ccccc23)c1O.Cc1ccccc1/N=C/c1ccccc1O.Cc1ccccc1/N=C/c1ccccc1O.Oc1c(/C=N/c2cccc3ccccc23)cccc1-c1ccccc1.Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc12.
What is the InChIKey of pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol?
The InChIKey is HKIJKEWUTRRUSN-PGIGFEHNSA-D. The full InChI is InChI=1S/C23H17NO.C21H15NO.C18H15NO.2C14H13NO.10BrH.5Ti/c25-23-19(12-6-14-21(23)18-8-2-1-3-9-18)16-24-22-15-7-11-17-10-4-5-13-20(17)22;23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20;1-13-6-4-9-15(18(13)20)12-19-17-11-5-8-14-7-2-3-10-16(14)17;2*1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;;;;;;;;;;;;;;;/h1-16,25H;1-14,23H;2-12,20H,1H3;2*2-10,16H,1H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b24-16+;22-14+;19-12+;2*15-10+;;;;;;;;;;;;;;;.
What are the key properties of pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol?
pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol has a molecular weight of 2342.98 g/mol, XLogP of 31.36, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol is sourced from PubChem (CID 159734302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).