(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride

C18H14ClOP — CID 118935396

IUPAC(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
SMILESCl.Pc1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C18H13OP.ClH/c20-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)19-18(14)16;/h1-11H,20H2;1H
InChIKeyZZPBHIDCDHFFQO-UHFFFAOYSA-N
MW312.74 g/mol
LogP5.18
Rot. Bonds1

About (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride

(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride (PubChem CID 118935396) has the molecular formula C18H14ClOP and a molecular weight of 312.74 g/mol. Its IUPAC name is (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride.

Molecular Properties

Compound Name(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
PubChem CID118935396
Molecular FormulaC18H14ClOP
Molecular Weight312.74 g/mol
Exact Mass312.05
IUPAC Name(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
SMILESCl.Pc1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C18H13OP.ClH/c20-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)19-18(14)16;/h1-11H,20H2;1H
InChIKeyZZPBHIDCDHFFQO-UHFFFAOYSA-N
XLogP5.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.74
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran
CID 58657592
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315

Frequently Asked Questions

What is the IUPAC name of (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride?
The IUPAC name of (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride (CID 118935396) is (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride.
What is the SMILES notation for (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride?
The canonical SMILES for (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride is Cl.Pc1cccc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride?
The InChIKey is ZZPBHIDCDHFFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13OP.ClH/c20-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)19-18(14)16;/h1-11H,20H2;1H.
What are the key properties of (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride?
(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride has a molecular weight of 312.74 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride is sourced from PubChem (CID 118935396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).