7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17Br2NO3 — CID 18854447

IUPAC7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Br)cc2)cc1C
InChIInChI=1S/C25H17Br2NO3/c1-13-3-9-18(11-14(13)2)28-22(15-4-6-16(26)7-5-15)21-23(29)19-12-17(27)8-10-20(19)31-24(21)25(28)30/h3-12,22H,1-2H3
InChIKeyXAOVZQYSABOZJQ-UHFFFAOYSA-N
MW539.22 g/mol
LogP6.68
Rot. Bonds2

About 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854447) has the molecular formula C25H17Br2NO3 and a molecular weight of 539.22 g/mol. Its IUPAC name is 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854447
Molecular FormulaC25H17Br2NO3
Molecular Weight539.22 g/mol
Exact Mass536.96
IUPAC Name7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Br)cc2)cc1C
InChIInChI=1S/C25H17Br2NO3/c1-13-3-9-18(11-14(13)2)28-22(15-4-6-16(26)7-5-15)21-23(29)19-12-17(27)8-10-20(19)31-24(21)25(28)30/h3-12,22H,1-2H3
InChIKeyXAOVZQYSABOZJQ-UHFFFAOYSA-N
XLogP6.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.22
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854465
7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854453
7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854645
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
7-bromo-2-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854663
7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856474
2-(4-bromophenyl)-6,7-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856316
1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856545
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855850
2-(3-bromophenyl)-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857357
2-(4-bromophenyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857846

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854447) is 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Br)cc2)cc1C.
What is the InChIKey of 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XAOVZQYSABOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Br2NO3/c1-13-3-9-18(11-14(13)2)28-22(15-4-6-16(26)7-5-15)21-23(29)19-12-17(27)8-10-20(19)31-24(21)25(28)30/h3-12,22H,1-2H3.
What are the key properties of 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 539.22 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).