6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione

C32H16Cl2O4 — CID 141466090

IUPAC6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
SMILESO=C1C(C2=C(c3ccccc3)C(=O)c3ccc(Cl)cc3C2=O)=C(c2ccccc2)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C32H16Cl2O4/c33-19-11-13-21-23(15-19)31(37)27(25(29(21)35)17-7-3-1-4-8-17)28-26(18-9-5-2-6-10-18)30(36)22-14-12-20(34)16-24(22)32(28)38/h1-16H
InChIKeyVPGLEDGXVAHDBW-UHFFFAOYSA-N
MW535.38 g/mol
LogP7.36
Rot. Bonds3

About 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione

6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione (PubChem CID 141466090) has the molecular formula C32H16Cl2O4 and a molecular weight of 535.38 g/mol. Its IUPAC name is 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione.

Molecular Properties

Compound Name6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
PubChem CID141466090
Molecular FormulaC32H16Cl2O4
Molecular Weight535.38 g/mol
Exact Mass534.04
IUPAC Name6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
SMILESO=C1C(C2=C(c3ccccc3)C(=O)c3ccc(Cl)cc3C2=O)=C(c2ccccc2)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C32H16Cl2O4/c33-19-11-13-21-23(15-19)31(37)27(25(29(21)35)17-7-3-1-4-8-17)28-26(18-9-5-2-6-10-18)30(36)22-14-12-20(34)16-24(22)32(28)38/h1-16H
InChIKeyVPGLEDGXVAHDBW-UHFFFAOYSA-N
XLogP7.36
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.38
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione 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

7-chloro-2,3-diphenyl-4-sulfanylidenenaphthalen-1-one
CID 88621365
6-chloro-3-phenyl-2-trimethylsilylinden-1-one
CID 102078597
3-chlorophenanthrene-9,10-dione
CID 67151037
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
2,5-bis(3,4-diphenylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 166446387
5-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
CID 10125667
2-(4-chlorophenyl)-3-diphenylphosphorylinden-1-one
CID 177394155
2-chloro-7-iodofluoren-9-one
CID 86047410
2-amino-3-(3-chlorophenyl)naphthalene-1,4-dione
CID 90646353
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione?
The IUPAC name of 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione (CID 141466090) is 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione.
What is the SMILES notation for 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione?
The canonical SMILES for 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione is O=C1C(C2=C(c3ccccc3)C(=O)c3ccc(Cl)cc3C2=O)=C(c2ccccc2)C(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione?
The InChIKey is VPGLEDGXVAHDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16Cl2O4/c33-19-11-13-21-23(15-19)31(37)27(25(29(21)35)17-7-3-1-4-8-17)28-26(18-9-5-2-6-10-18)30(36)22-14-12-20(34)16-24(22)32(28)38/h1-16H.
What are the key properties of 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione?
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione has a molecular weight of 535.38 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione is sourced from PubChem (CID 141466090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).