7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H17Cl2NO4 — CID 18853224

IUPAC7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C29H17Cl2NO4/c30-18-7-5-8-20(15-18)32-26(17-6-4-11-22(14-17)35-21-9-2-1-3-10-21)25-27(33)23-16-19(31)12-13-24(23)36-28(25)29(32)34/h1-16,26H
InChIKeyLIOZTSLMHQDIFB-UHFFFAOYSA-N
MW514.36 g/mol
LogP7.64
Rot. Bonds4

About 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853224) has the molecular formula C29H17Cl2NO4 and a molecular weight of 514.36 g/mol. Its IUPAC name is 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853224
Molecular FormulaC29H17Cl2NO4
Molecular Weight514.36 g/mol
Exact Mass513.05
IUPAC Name7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C29H17Cl2NO4/c30-18-7-5-8-20(15-18)32-26(17-6-4-11-22(14-17)35-21-9-2-1-3-10-21)25-27(33)23-16-19(31)12-13-24(23)36-28(25)29(32)34/h1-16,26H
InChIKeyLIOZTSLMHQDIFB-UHFFFAOYSA-N
XLogP7.64
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.36
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-7-chloro-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853221
7-chloro-1-(3-phenoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3931970
7-chloro-1-(3-chlorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853554
ethyl 4-[7-chloro-3,9-dioxo-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853234
2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853550
7-bromo-2-(3-chlorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855006
7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853062
7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857992
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810032
2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852229

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853224) is 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1.
What is the InChIKey of 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LIOZTSLMHQDIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Cl2NO4/c30-18-7-5-8-20(15-18)32-26(17-6-4-11-22(14-17)35-21-9-2-1-3-10-21)25-27(33)23-16-19(31)12-13-24(23)36-28(25)29(32)34/h1-16,26H.
What are the key properties of 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 514.36 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).