[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide

C46H40Br4N2P2Ru — CID 11412180

IUPAC[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
SMILESBr[Ru]Br.[Br-].[Br-].[NH3+]Cc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(C[NH3+])cc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C46H38N2P2.4BrH.Ru/c47-31-33-22-26-41-36(29-33)25-28-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-30-34(32-48)21-23-35(42)24-27-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;;;;;/h1-30H,31-32,47-48H2;4*1H;/q;;;;;+2/p-2
InChIKeyIMQCLJAMMLYKRD-UHFFFAOYSA-L
MW1103.47 g/mol
LogP2.36
Rot. Bonds9

About [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide

[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide (PubChem CID 11412180) has the molecular formula C46H40Br4N2P2Ru and a molecular weight of 1103.47 g/mol. Its IUPAC name is [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide.

Molecular Properties

Compound Name[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
PubChem CID11412180
Molecular FormulaC46H40Br4N2P2Ru
Molecular Weight1103.47 g/mol
Exact Mass1099.84
IUPAC Name[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
SMILESBr[Ru]Br.[Br-].[Br-].[NH3+]Cc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(C[NH3+])cc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C46H38N2P2.4BrH.Ru/c47-31-33-22-26-41-36(29-33)25-28-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-30-34(32-48)21-23-35(42)24-27-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;;;;;/h1-30H,31-32,47-48H2;4*1H;/q;;;;;+2/p-2
InChIKeyIMQCLJAMMLYKRD-UHFFFAOYSA-L
XLogP2.36
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001103.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
CID 11412181
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene
CID 91222494
methyl 3-[5-(2-diphenylphosphanylnaphthalen-1-yl)-6-methoxynaphthalen-2-yl]propanoate
CID 101349305
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101466208
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
[5-[5-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-1-yl]methylazanium
CID 102212130
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175

Frequently Asked Questions

What is the IUPAC name of [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide?
The IUPAC name of [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide (CID 11412180) is [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide.
What is the SMILES notation for [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide?
The canonical SMILES for [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide is Br[Ru]Br.[Br-].[Br-].[NH3+]Cc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(C[NH3+])cc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide?
The InChIKey is IMQCLJAMMLYKRD-UHFFFAOYSA-L. The full InChI is InChI=1S/C46H38N2P2.4BrH.Ru/c47-31-33-22-26-41-36(29-33)25-28-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-30-34(32-48)21-23-35(42)24-27-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;;;;;/h1-30H,31-32,47-48H2;4*1H;/q;;;;;+2/p-2.
What are the key properties of [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide?
[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide has a molecular weight of 1103.47 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide is sourced from PubChem (CID 11412180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).