N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)

C50H32ClN5Ni — CID 25098994

IUPACN-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)
SMILESClc1ccc(NC2=Cc3nc2c(-c2ccccc2)c2ccc([n-]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([n-]4)c3-c3ccccc3)C=C2)cc1.[Ni+2]
InChIInChI=1S/C50H32ClN5.Ni/c51-36-21-23-37(24-22-36)52-45-31-44-48(34-17-9-3-10-18-34)42-28-27-40(54-42)46(32-13-5-1-6-14-32)38-25-26-39(53-38)47(33-15-7-2-8-16-33)41-29-30-43(55-41)49(50(45)56-44)35-19-11-4-12-20-35;/h1-31,52H;/q-2;+2/b46-38-,46-40-,47-39-,47-41-,48-42-,48-44-,49-43-,50-49-;
InChIKeyQSTCMLGTOJSFFS-FEUHDWRMSA-N
MW796.99 g/mol
LogP12.67
Rot. Bonds6

About N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)

N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+) (PubChem CID 25098994) has the molecular formula C50H32ClN5Ni and a molecular weight of 796.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+).

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)
PubChem CID25098994
Molecular FormulaC50H32ClN5Ni
Molecular Weight796.99 g/mol
Exact Mass795.17
IUPAC NameN-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)
SMILESClc1ccc(NC2=Cc3nc2c(-c2ccccc2)c2ccc([n-]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([n-]4)c3-c3ccccc3)C=C2)cc1.[Ni+2]
InChIInChI=1S/C50H32ClN5.Ni/c51-36-21-23-37(24-22-36)52-45-31-44-48(34-17-9-3-10-18-34)42-28-27-40(54-42)46(32-13-5-1-6-14-32)38-25-26-39(53-38)47(33-15-7-2-8-16-33)41-29-30-43(55-41)49(50(45)56-44)35-19-11-4-12-20-35;/h1-31,52H;/q-2;+2/b46-38-,46-40-,47-39-,47-41-,48-42-,48-44-,49-43-,50-49-;
InChIKeyQSTCMLGTOJSFFS-FEUHDWRMSA-N
XLogP12.67
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.99
LogP ≤ 512.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+) with MolForge

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Related Compounds

nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
zinc 2-methyl-5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 10032590
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 169046484
2-ethenyl-5,10,15,20-tetraphenylporphyrin-22,24-diide;nickel(2+)
CID 10996082
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 5260273
manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 636232
CID 170997510
CID 170997510
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 58273727
2-butyl-5,10,15,20-tetraphenylporphyrin-22,24-diide;nickel(2+)
CID 10327576

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)?
The IUPAC name of N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+) (CID 25098994) is N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+).
What is the SMILES notation for N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)?
The canonical SMILES for N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+) is Clc1ccc(NC2=Cc3nc2c(-c2ccccc2)c2ccc([n-]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([n-]4)c3-c3ccccc3)C=C2)cc1.[Ni+2].
What is the InChIKey of N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)?
The InChIKey is QSTCMLGTOJSFFS-FEUHDWRMSA-N. The full InChI is InChI=1S/C50H32ClN5.Ni/c51-36-21-23-37(24-22-36)52-45-31-44-48(34-17-9-3-10-18-34)42-28-27-40(54-42)46(32-13-5-1-6-14-32)38-25-26-39(53-38)47(33-15-7-2-8-16-33)41-29-30-43(55-41)49(50(45)56-44)35-19-11-4-12-20-35;/h1-31,52H;/q-2;+2/b46-38-,46-40-,47-39-,47-41-,48-42-,48-44-,49-43-,50-49-;.
What are the key properties of N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)?
N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+) has a molecular weight of 796.99 g/mol, XLogP of 12.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+) is sourced from PubChem (CID 25098994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).