(1-bromonaphthalen-2-yl)methyl-triphenylarsanium

C29H23AsBr+ — CID 71442901

IUPAC(1-bromonaphthalen-2-yl)methyl-triphenylarsanium
SMILESBrc1c(C[As+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C29H23AsBr/c31-29-24(21-20-23-12-10-11-19-28(23)29)22-30(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-21H,22H2/q+1
InChIKeyZWDYTPPCLQPAOK-UHFFFAOYSA-N
MW526.33 g/mol
LogP5.85
Rot. Bonds5

About (1-bromonaphthalen-2-yl)methyl-triphenylarsanium

(1-bromonaphthalen-2-yl)methyl-triphenylarsanium (PubChem CID 71442901) has the molecular formula C29H23AsBr+ and a molecular weight of 526.33 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl)methyl-triphenylarsanium.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl)methyl-triphenylarsanium
PubChem CID71442901
Molecular FormulaC29H23AsBr+
Molecular Weight526.33 g/mol
Exact Mass525.02
IUPAC Name(1-bromonaphthalen-2-yl)methyl-triphenylarsanium
SMILESBrc1c(C[As+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C29H23AsBr/c31-29-24(21-20-23-12-10-11-19-28(23)29)22-30(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-21H,22H2/q+1
InChIKeyZWDYTPPCLQPAOK-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.33
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine
CID 68738414
1-bromo-2-phenylnaphthalene
CID 10956972
1-bromo-2-(prop-1-ynylsulfanylmethyl)naphthalene
CID 102509834
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154
1-bromo-2-[(3,5-dimethoxyphenoxy)methyl]naphthalene
CID 86225110
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
1H-benzo[g]indole-2-carboxylic acid
CID 645288
(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid
CID 66513273
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
Silane, 1-naphthalenyl-
CID 6327533

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl)methyl-triphenylarsanium?
The IUPAC name of (1-bromonaphthalen-2-yl)methyl-triphenylarsanium (CID 71442901) is (1-bromonaphthalen-2-yl)methyl-triphenylarsanium.
What is the SMILES notation for (1-bromonaphthalen-2-yl)methyl-triphenylarsanium?
The canonical SMILES for (1-bromonaphthalen-2-yl)methyl-triphenylarsanium is Brc1c(C[As+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of (1-bromonaphthalen-2-yl)methyl-triphenylarsanium?
The InChIKey is ZWDYTPPCLQPAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23AsBr/c31-29-24(21-20-23-12-10-11-19-28(23)29)22-30(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-21H,22H2/q+1.
What are the key properties of (1-bromonaphthalen-2-yl)methyl-triphenylarsanium?
(1-bromonaphthalen-2-yl)methyl-triphenylarsanium has a molecular weight of 526.33 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl)methyl-triphenylarsanium is sourced from PubChem (CID 71442901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).