bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)

C44H38N10Pt2 — CID 176622030

IUPACbis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)
SMILESCN(C)c1ccc2c(n1)[n-]c1ccccc12.CN(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccc[n-]2)nc1
InChIInChI=1S/2C13H12N3.2C9H7N2.2Pt/c2*1-16(2)12-8-7-10-9-5-3-4-6-11(9)14-13(10)15-12;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;/h2*3-8H,1-2H3;2*1-7H;;/q4*-1;2*+2
InChIKeyBKKJMGILYDHJMP-UHFFFAOYSA-N
MW1097.01 g/mol
LogP8.23
Rot. Bonds4

About bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)

bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine) (PubChem CID 176622030) has the molecular formula C44H38N10Pt2 and a molecular weight of 1097.01 g/mol. Its IUPAC name is bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine).

Molecular Properties

Compound Namebis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)
PubChem CID176622030
Molecular FormulaC44H38N10Pt2
Molecular Weight1097.01 g/mol
Exact Mass1096.26
IUPAC Namebis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)
SMILESCN(C)c1ccc2c(n1)[n-]c1ccccc12.CN(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccc[n-]2)nc1
InChIInChI=1S/2C13H12N3.2C9H7N2.2Pt/c2*1-16(2)12-8-7-10-9-5-3-4-6-11(9)14-13(10)15-12;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;/h2*3-8H,1-2H3;2*1-7H;;/q4*-1;2*+2
InChIKeyBKKJMGILYDHJMP-UHFFFAOYSA-N
XLogP8.23
TPSA114.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.01
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-phenylpyridine);bis(2-phenylpyrido[2,3-b]indol-9-ide);bis(platinum(2+))
CID 176622002
bis(2-(2H-naphthalen-2-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621902
bis(2-phenylpyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621886
bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine);bis(2-methylpyrido[2,3-b]indol-9-ide);bis(platinum(2+))
CID 176621995
bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621893
N,N-dimethylpyridin-2-amine;molecular hydrogen
CID 143283394
N,N-dimethyl-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 132573611
bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))
CID 176622051
propane;2-pyridin-2-ylpyridine
CID 158168510
N,N-dimethylpyridin-2-amine;triphenylborane
CID 157357235
CID 139150015
CID 139150015
iridium;pyrido[2,3-a]carbazol-11-ide
CID 58517833

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)?
The IUPAC name of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine) (CID 176622030) is bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine).
What is the SMILES notation for bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)?
The canonical SMILES for bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine) is CN(C)c1ccc2c(n1)[n-]c1ccccc12.CN(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccc[n-]2)nc1.
What is the InChIKey of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)?
The InChIKey is BKKJMGILYDHJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N3.2C9H7N2.2Pt/c2*1-16(2)12-8-7-10-9-5-3-4-6-11(9)14-13(10)15-12;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;/h2*3-8H,1-2H3;2*1-7H;;/q4*-1;2*+2.
What are the key properties of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine)?
bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine) has a molecular weight of 1097.01 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(platinum(2+));bis(2-pyrrol-1-id-2-ylpyridine) is sourced from PubChem (CID 176622030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).