N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese

C33H26MnN4 — CID 174834499

IUPACN,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese
SMILES[Mn].c1ccc(-c2cccnc2-c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C15H11N3.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;/h1-15H;1-11H;
InChIKeyHHWNOGXSDPXBOY-UHFFFAOYSA-N
MW533.54 g/mol
LogP8.36
Rot. Bonds5

About N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese

N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese (PubChem CID 174834499) has the molecular formula C33H26MnN4 and a molecular weight of 533.54 g/mol. Its IUPAC name is N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese.

Molecular Properties

Compound NameN,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese
PubChem CID174834499
Molecular FormulaC33H26MnN4
Molecular Weight533.54 g/mol
Exact Mass533.15
IUPAC NameN,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese
SMILES[Mn].c1ccc(-c2cccnc2-c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C15H11N3.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;/h1-15H;1-11H;
InChIKeyHHWNOGXSDPXBOY-UHFFFAOYSA-N
XLogP8.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.54
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese?
The IUPAC name of N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese (CID 174834499) is N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese.
What is the SMILES notation for N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese?
The canonical SMILES for N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese is [Mn].c1ccc(-c2cccnc2-c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese?
The InChIKey is HHWNOGXSDPXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C15H11N3.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;/h1-15H;1-11H;.
What are the key properties of N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese?
N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese has a molecular weight of 533.54 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese is sourced from PubChem (CID 174834499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).