tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)

C38H61N5Ti — CID 139108580

IUPACtris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)
SMILESCC(C)c1cc(C(C)C)c(-c2cccc([N-]c3c(C(C)C)cccc3C(C)C)n2)c(C(C)C)c1.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C32H43N2.3C2H6N.Ti/c1-19(2)24-17-27(22(7)8)31(28(18-24)23(9)10)29-15-12-16-30(33-29)34-32-25(20(3)4)13-11-14-26(32)21(5)6;3*1-3-2;/h11-23H,1-10H3;3*1-2H3;/q4*-1;+4
InChIKeyDNNQDXCCYYYCGY-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.56
Rot. Bonds8

About tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+) (PubChem CID 139108580) has the molecular formula C38H61N5Ti and a molecular weight of 635.81 g/mol. Its IUPAC name is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)
PubChem CID139108580
Molecular FormulaC38H61N5Ti
Molecular Weight635.81 g/mol
Exact Mass635.44
IUPAC Nametris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)
SMILESCC(C)c1cc(C(C)C)c(-c2cccc([N-]c3c(C(C)C)cccc3C(C)C)n2)c(C(C)C)c1.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C32H43N2.3C2H6N.Ti/c1-19(2)24-17-27(22(7)8)31(28(18-24)23(9)10)29-15-12-16-30(33-29)34-32-25(20(3)4)13-11-14-26(32)21(5)6;3*1-3-2;/h11-23H,1-10H3;3*1-2H3;/q4*-1;+4
InChIKeyDNNQDXCCYYYCGY-UHFFFAOYSA-N
XLogP12.56
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate
CID 139044730
bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)
CID 139107344
[2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide;bis(molybdenum(2+));tris(2,2,2-trifluoroacetate)
CID 139044726
N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
CID 90421461
(2,6-dimethylphenyl)-[6-(2,6-dimethylphenyl)-2-pyridinyl]azanide
CID 102591190
N,N'-bis[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pentane-1,5-diamine
CID 131977883
bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)
CID 139044727
N-cyclopropyl-1-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methanimine
CID 153324443
N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline
CID 153324476
4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine
CID 58442454
tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium
CID 140503199
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)?
The IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+) (CID 139108580) is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+).
What is the SMILES notation for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)?
The canonical SMILES for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+) is CC(C)c1cc(C(C)C)c(-c2cccc([N-]c3c(C(C)C)cccc3C(C)C)n2)c(C(C)C)c1.C[N-]C.C[N-]C.C[N-]C.[Ti+4].
What is the InChIKey of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)?
The InChIKey is DNNQDXCCYYYCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N2.3C2H6N.Ti/c1-19(2)24-17-27(22(7)8)31(28(18-24)23(9)10)29-15-12-16-30(33-29)34-32-25(20(3)4)13-11-14-26(32)21(5)6;3*1-3-2;/h11-23H,1-10H3;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)?
tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+) has a molecular weight of 635.81 g/mol, XLogP of 12.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+) is sourced from PubChem (CID 139108580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).