benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))

C108H116Mn2N4 — CID 139162852

IUPACbenzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(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.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.[Mn+2].[Mn+2].c1ccccc1.c1ccccc1
InChIInChI=1S/4C24H26N.2C6H6.2Mn/c4*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;2*1-2-4-6-5-3-1;;/h4*7-13,25H,1-6H3;2*1-6H;;/q4*-1;;;2*+2
InChIKeyYVOVRWCFRGKOFA-UHFFFAOYSA-N
MW1580.02 g/mol
LogP33.59
Rot. Bonds8

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

benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+)) (PubChem CID 139162852) has the molecular formula C108H116Mn2N4 and a molecular weight of 1580.02 g/mol. Its IUPAC name is benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+)).

Molecular Properties

Compound Namebenzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
PubChem CID139162852
Molecular FormulaC108H116Mn2N4
Molecular Weight1580.02 g/mol
Exact Mass1578.80
IUPAC Namebenzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(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.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.[Mn+2].[Mn+2].c1ccccc1.c1ccccc1
InChIInChI=1S/4C24H26N.2C6H6.2Mn/c4*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;2*1-2-4-6-5-3-1;;/h4*7-13,25H,1-6H3;2*1-6H;;/q4*-1;;;2*+2
InChIKeyYVOVRWCFRGKOFA-UHFFFAOYSA-N
XLogP33.59
TPSA95.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.02
LogP ≤ 533.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 137158148
CID 137158148
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
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
CID 6394929
CID 6394929
CID 139248972
CID 139248972
2-[2-[2,3-bis(2,4,6-trimethylphenyl)phenoxy]-6-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 151096565
1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
CID 101269053
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
2,6-bis(2,4,6-trimethylphenyl)benzenecarbodithioate;copper(1+)
CID 132518578

Frequently Asked Questions

What is the IUPAC name of benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))?
The IUPAC name of benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+)) (CID 139162852) is benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+)).
What is the SMILES notation for benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))?
The canonical SMILES for benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(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.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.[Mn+2].[Mn+2].c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))?
The InChIKey is YVOVRWCFRGKOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H26N.2C6H6.2Mn/c4*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;2*1-2-4-6-5-3-1;;/h4*7-13,25H,1-6H3;2*1-6H;;/q4*-1;;;2*+2.
What are the key properties of benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))?
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+)) has a molecular weight of 1580.02 g/mol, XLogP of 33.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+)) is sourced from PubChem (CID 139162852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).