2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione

C30H16Cl2O4 — CID 10052078

IUPAC2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1Cl)C1(c2ccccc2Cl)C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H16Cl2O4/c31-23-15-7-5-13-21(23)29(25(33)17-9-1-2-10-18(17)26(29)34)30(22-14-6-8-16-24(22)32)27(35)19-11-3-4-12-20(19)28(30)36/h1-16H
InChIKeyFRHIWFRKXLEHKT-UHFFFAOYSA-N
MW511.36 g/mol
LogP6.33
Rot. Bonds3

About 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione

2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione (PubChem CID 10052078) has the molecular formula C30H16Cl2O4 and a molecular weight of 511.36 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione
PubChem CID10052078
Molecular FormulaC30H16Cl2O4
Molecular Weight511.36 g/mol
Exact Mass510.04
IUPAC Name2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1Cl)C1(c2ccccc2Cl)C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H16Cl2O4/c31-23-15-7-5-13-21(23)29(25(33)17-9-1-2-10-18(17)26(29)34)30(22-14-6-8-16-24(22)32)27(35)19-11-3-4-12-20(19)28(30)36/h1-16H
InChIKeyFRHIWFRKXLEHKT-UHFFFAOYSA-N
XLogP6.33
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.36
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8,8-dichlorobicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 13182754
3-amino-3-(2-chlorophenyl)cyclobutan-1-one
CID 115020473
2,7-dichlorocyclohepta-2,4,6-trien-1-one
CID 101073282
3-(2-chlorophenyl)-3-isocyanatocyclobutan-1-one
CID 115033053
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
3,3-bis(2-chlorophenyl)cyclopentan-1-one
CID 142095772
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
CID 134124391
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737369
2-chlorocyclohepta-2,4,6-trien-1-one
CID 19691

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione (CID 10052078) is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1(c1ccccc1Cl)C1(c2ccccc2Cl)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione?
The InChIKey is FRHIWFRKXLEHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16Cl2O4/c31-23-15-7-5-13-21(23)29(25(33)17-9-1-2-10-18(17)26(29)34)30(22-14-6-8-16-24(22)32)27(35)19-11-3-4-12-20(19)28(30)36/h1-16H.
What are the key properties of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione?
2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione has a molecular weight of 511.36 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-1,3-dioxoinden-2-yl]indene-1,3-dione is sourced from PubChem (CID 10052078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).