[1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide

C47H35BrN2P2 — CID 139247545

IUPAC[1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide
SMILES[Br-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3c(-n4cc[nH+]c4)cccc23)cc1
InChIInChI=1S/C47H34N2P2.BrH/c1-5-17-36(18-6-1)50(37-19-7-2-8-20-37)44-30-28-35-16-13-14-25-40(35)46(44)47-42-26-15-27-43(49-33-32-48-34-49)41(42)29-31-45(47)51(38-21-9-3-10-22-38)39-23-11-4-12-24-39;/h1-34H;1H
InChIKeyRQIIIUBEEMKAEW-UHFFFAOYSA-N
MW769.66 g/mol
LogP5.79
Rot. Bonds8

About [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide

[1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide (PubChem CID 139247545) has the molecular formula C47H35BrN2P2 and a molecular weight of 769.66 g/mol. Its IUPAC name is [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide.

Molecular Properties

Compound Name[1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide
PubChem CID139247545
Molecular FormulaC47H35BrN2P2
Molecular Weight769.66 g/mol
Exact Mass768.15
IUPAC Name[1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide
SMILES[Br-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3c(-n4cc[nH+]c4)cccc23)cc1
InChIInChI=1S/C47H34N2P2.BrH/c1-5-17-36(18-6-1)50(37-19-7-2-8-20-37)44-30-28-35-16-13-14-25-40(35)46(44)47-42-26-15-27-43(49-33-32-48-34-49)41(42)29-31-45(47)51(38-21-9-3-10-22-38)39-23-11-4-12-24-39;/h1-34H;1H
InChIKeyRQIIIUBEEMKAEW-UHFFFAOYSA-N
XLogP5.79
TPSA19.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.66
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide 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

bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
CID 87260193
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
[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
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride
CID 25029251

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide?
The IUPAC name of [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide (CID 139247545) is [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide.
What is the SMILES notation for [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide?
The canonical SMILES for [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide is [Br-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3c(-n4cc[nH+]c4)cccc23)cc1.
What is the InChIKey of [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide?
The InChIKey is RQIIIUBEEMKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2P2.BrH/c1-5-17-36(18-6-1)50(37-19-7-2-8-20-37)44-30-28-35-16-13-14-25-40(35)46(44)47-42-26-15-27-43(49-33-32-48-34-49)41(42)29-31-45(47)51(38-21-9-3-10-22-38)39-23-11-4-12-24-39;/h1-34H;1H.
What are the key properties of [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide?
[1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide has a molecular weight of 769.66 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanyl-5-imidazol-3-ium-1-ylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane bromide is sourced from PubChem (CID 139247545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).