acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium

C48H42O4P2Ru — CID 163198946

IUPACacetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
SMILESC1=CC(P(c2ccccc2)c2ccccc2)C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc21.CC(=O)O.CC(=O)O.[Ru]
InChIInChI=1S/C44H34P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-32,41,43H;2*1H3,(H,3,4);
InChIKeyMUGAPKKEAZTJHX-UHFFFAOYSA-N
MW845.88 g/mol
LogP9.44
Rot. Bonds7

About acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium

acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium (PubChem CID 163198946) has the molecular formula C48H42O4P2Ru and a molecular weight of 845.88 g/mol. Its IUPAC name is acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium.

Molecular Properties

Compound Nameacetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
PubChem CID163198946
Molecular FormulaC48H42O4P2Ru
Molecular Weight845.88 g/mol
Exact Mass846.16
IUPAC Nameacetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
SMILESC1=CC(P(c2ccccc2)c2ccccc2)C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc21.CC(=O)O.CC(=O)O.[Ru]
InChIInChI=1S/C44H34P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-32,41,43H;2*1H3,(H,3,4);
InChIKeyMUGAPKKEAZTJHX-UHFFFAOYSA-N
XLogP9.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.88
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-diphenylphosphanyl-1H-naphthalen-2-id-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+);diacetate
CID 18695341
diphenyl-[1-(2-phenyl-1H-inden-1-yl)naphthalen-2-yl]phosphane
CID 139996216
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 129149887
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
methyl N-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]carbamate
CID 12010727
12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 146360669
acetic acid;chrysene
CID 175201446
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[(12R,13R)-13-(2-diphenylphosphanylbenzoyl)oxy-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaenyl] 2-diphenylphosphanylbenzoate
CID 101127020
acetic acid;triphenylphosphane;hydrochloride
CID 87530977

Frequently Asked Questions

What is the IUPAC name of acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
The IUPAC name of acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium (CID 163198946) is acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium.
What is the SMILES notation for acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
The canonical SMILES for acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium is C1=CC(P(c2ccccc2)c2ccccc2)C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc21.CC(=O)O.CC(=O)O.[Ru].
What is the InChIKey of acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
The InChIKey is MUGAPKKEAZTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-32,41,43H;2*1H3,(H,3,4);.
What are the key properties of acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium has a molecular weight of 845.88 g/mol, XLogP of 9.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium is sourced from PubChem (CID 163198946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).