2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one

C27H18ClO2P — CID 177394155

IUPAC2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one
SMILESO=C1C(c2ccc(Cl)cc2)=C(P(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H18ClO2P/c28-20-17-15-19(16-18-20)25-26(29)23-13-7-8-14-24(23)27(25)31(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H
InChIKeyDDEZHUDELISPEI-UHFFFAOYSA-N
MW440.87 g/mol
LogP6.42
Rot. Bonds4

About 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one

2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one (PubChem CID 177394155) has the molecular formula C27H18ClO2P and a molecular weight of 440.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one
PubChem CID177394155
Molecular FormulaC27H18ClO2P
Molecular Weight440.87 g/mol
Exact Mass440.07
IUPAC Name2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one
SMILESO=C1C(c2ccc(Cl)cc2)=C(P(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H18ClO2P/c28-20-17-15-19(16-18-20)25-26(29)23-13-7-8-14-24(23)27(25)31(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H
InChIKeyDDEZHUDELISPEI-UHFFFAOYSA-N
XLogP6.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.87
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
2-diphenylphosphorylnaphthalene-1,4-dione
CID 14614271
1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
2-(4-chlorophenyl)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 18871168
7-chloro-2,3-diphenyl-4-sulfanylidenenaphthalen-1-one
CID 88621365
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
3-chlorophenanthrene-9,10-dione
CID 67151037
2,3-bis(3,4-difluorophenyl)naphthalene-1,4-dione
CID 154722109
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
diphenylphosphorylbenzene;terbium
CID 86595283
2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one
CID 132820896

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one (CID 177394155) is 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one is O=C1C(c2ccc(Cl)cc2)=C(P(=O)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one?
The InChIKey is DDEZHUDELISPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClO2P/c28-20-17-15-19(16-18-20)25-26(29)23-13-7-8-14-24(23)27(25)31(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H.
What are the key properties of 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one?
2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one has a molecular weight of 440.87 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one is sourced from PubChem (CID 177394155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).