1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane

C48H36As2 — CID 173224366

IUPAC1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane
SMILESc1ccc([As](c2ccc(-c3ccc([As](c4ccccc4)c4ccc5cccc6c5c4CC6)cc3)cc2)c2ccc3cccc4c3c2CC4)cc1
InChIInChI=1S/C48H36As2/c1-3-13-39(14-4-1)49(45-31-23-37-11-7-9-35-21-29-43(45)47(35)37)41-25-17-33(18-26-41)34-19-27-42(28-20-34)50(40-15-5-2-6-16-40)46-32-24-38-12-8-10-36-22-30-44(46)48(36)38/h1-20,23-28,31-32H,21-22,29-30H2
InChIKeyVCGHWDMEWFYRIR-UHFFFAOYSA-N
MW762.66 g/mol
LogP6.89
Rot. Bonds7

About 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane

1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane (PubChem CID 173224366) has the molecular formula C48H36As2 and a molecular weight of 762.66 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane
PubChem CID173224366
Molecular FormulaC48H36As2
Molecular Weight762.66 g/mol
Exact Mass762.12
IUPAC Name1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane
SMILESc1ccc([As](c2ccc(-c3ccc([As](c4ccccc4)c4ccc5cccc6c5c4CC6)cc3)cc2)c2ccc3cccc4c3c2CC4)cc1
InChIInChI=1S/C48H36As2/c1-3-13-39(14-4-1)49(45-31-23-37-11-7-9-35-21-29-43(45)47(35)37)41-25-17-33(18-26-41)34-19-27-42(28-20-34)50(40-15-5-2-6-16-40)46-32-24-38-12-8-10-36-22-30-44(46)48(36)38/h1-20,23-28,31-32H,21-22,29-30H2
InChIKeyVCGHWDMEWFYRIR-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.66
LogP ≤ 56.89
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

1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
N-phenyl-9,10-dihydropyren-1-amine
CID 163541259
N-phenyl-N-(2-phenylphenyl)-1,2-dihydroacenaphthylen-3-amine
CID 22630556
1,2-dihydroacenaphthylene-3-sulfonyl chloride
CID 121008066
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[N-(1,2-dihydroacenaphthylen-3-yl)anilino]phenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-3-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 160642479
potassium 1,2-dihydroacenaphthylene-3-sulfonate
CID 146050724
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
1,2-dihydroacenaphthylene;perylene
CID 157201241
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
dinaphthalen-1-yl(phenyl)arsane
CID 12755573

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane?
The IUPAC name of 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane (CID 173224366) is 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane.
What is the SMILES notation for 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane?
The canonical SMILES for 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane is c1ccc([As](c2ccc(-c3ccc([As](c4ccccc4)c4ccc5cccc6c5c4CC6)cc3)cc2)c2ccc3cccc4c3c2CC4)cc1.
What is the InChIKey of 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane?
The InChIKey is VCGHWDMEWFYRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36As2/c1-3-13-39(14-4-1)49(45-31-23-37-11-7-9-35-21-29-43(45)47(35)37)41-25-17-33(18-26-41)34-19-27-42(28-20-34)50(40-15-5-2-6-16-40)46-32-24-38-12-8-10-36-22-30-44(46)48(36)38/h1-20,23-28,31-32H,21-22,29-30H2.
What are the key properties of 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane?
1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane has a molecular weight of 762.66 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-3-yl-[4-[4-[1,2-dihydroacenaphthylen-3-yl(phenyl)arsanyl]phenyl]phenyl]-phenylarsane is sourced from PubChem (CID 173224366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).