bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)

C48H52N2Ni — CID 139137061

IUPACbis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[NH-])c(C)c1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[NH-])c(C)c1.[Ni+2]
InChIInChI=1S/2C24H26N.Ni/c2*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;/h2*7-13,25H,1-6H3;/q2*-1;+2
InChIKeyAVLWOFLHFQMIHX-UHFFFAOYSA-N
MW715.65 g/mol
LogP15.11
Rot. Bonds4

About bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)

bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+) (PubChem CID 139137061) has the molecular formula C48H52N2Ni and a molecular weight of 715.65 g/mol. Its IUPAC name is bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+).

Molecular Properties

Compound Namebis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
PubChem CID139137061
Molecular FormulaC48H52N2Ni
Molecular Weight715.65 g/mol
Exact Mass714.35
IUPAC Namebis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[NH-])c(C)c1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[NH-])c(C)c1.[Ni+2]
InChIInChI=1S/2C24H26N.Ni/c2*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;/h2*7-13,25H,1-6H3;/q2*-1;+2
InChIKeyAVLWOFLHFQMIHX-UHFFFAOYSA-N
XLogP15.11
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.65
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
CID 137158148
CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
CID 6394929
CID 6394929
CID 139248972
CID 139248972
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-[2-[2,3-bis(2,4,6-trimethylphenyl)phenoxy]-6-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 151096565
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
CID 101398380
2,6-bis(2,4,6-trimethylphenyl)benzenecarbodithioate;copper(1+)
CID 132518578

Frequently Asked Questions

What is the IUPAC name of bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)?
The IUPAC name of bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+) (CID 139137061) is bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+).
What is the SMILES notation for bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)?
The canonical SMILES for bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+) is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[NH-])c(C)c1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[NH-])c(C)c1.[Ni+2].
What is the InChIKey of bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)?
The InChIKey is AVLWOFLHFQMIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N.Ni/c2*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;/h2*7-13,25H,1-6H3;/q2*-1;+2.
What are the key properties of bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)?
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+) has a molecular weight of 715.65 g/mol, XLogP of 15.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+) is sourced from PubChem (CID 139137061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).