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

C23H12Br2ClNO3 — CID 18854377

IUPAC7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Br)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C23H12Br2ClNO3/c24-13-4-1-3-12(9-13)20-19-21(28)17-10-14(25)7-8-18(17)30-22(19)23(29)27(20)16-6-2-5-15(26)11-16/h1-11,20H
InChIKeyBOYDQYOTXZYZAF-UHFFFAOYSA-N
MW545.61 g/mol
LogP6.72
Rot. Bonds2

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

7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854377) has the molecular formula C23H12Br2ClNO3 and a molecular weight of 545.61 g/mol. Its IUPAC name is 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854377
Molecular FormulaC23H12Br2ClNO3
Molecular Weight545.61 g/mol
Exact Mass542.89
IUPAC Name7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Br)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C23H12Br2ClNO3/c24-13-4-1-3-12(9-13)20-19-21(28)17-10-14(25)7-8-18(17)30-22(19)23(29)27(20)16-6-2-5-15(26)11-16/h1-11,20H
InChIKeyBOYDQYOTXZYZAF-UHFFFAOYSA-N
XLogP6.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.61
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853550
1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856387
7-bromo-2-(3-chlorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855006
7-bromo-2-(3-chlorophenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855024
2-(3-bromophenyl)-7-chloro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853069
2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857899
2-(4-bromophenyl)-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852544
2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2967503
2-(3-bromophenyl)-7-chloro-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853585
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
7-chloro-1-(3-chlorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853554

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854377) is 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Br)c2)N1c1cccc(Cl)c1.
What is the InChIKey of 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BOYDQYOTXZYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Br2ClNO3/c24-13-4-1-3-12(9-13)20-19-21(28)17-10-14(25)7-8-18(17)30-22(19)23(29)27(20)16-6-2-5-15(26)11-16/h1-11,20H.
What are the key properties of 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 545.61 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).