1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H20BrNO3 — CID 18856383

IUPAC1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)cc1
InChIInChI=1S/C26H20BrNO3/c1-14-7-9-19(10-8-14)28-23(17-5-4-6-18(27)13-17)22-24(29)20-11-15(2)16(3)12-21(20)31-25(22)26(28)30/h4-13,23H,1-3H3
InChIKeyHMJHQXWEZHHRFA-UHFFFAOYSA-N
MW474.35 g/mol
LogP6.23
Rot. Bonds2

About 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856383) has the molecular formula C26H20BrNO3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856383
Molecular FormulaC26H20BrNO3
Molecular Weight474.35 g/mol
Exact Mass473.06
IUPAC Name1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)cc1
InChIInChI=1S/C26H20BrNO3/c1-14-7-9-19(10-8-14)28-23(17-5-4-6-18(27)13-17)22-24(29)20-11-15(2)16(3)12-21(20)31-25(22)26(28)30/h4-13,23H,1-3H3
InChIKeyHMJHQXWEZHHRFA-UHFFFAOYSA-N
XLogP6.23
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856387
2-(4-bromophenyl)-6,7-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856316
1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856398
1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856392
6,7-dimethyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856348
butyl 4-[1-(3-bromophenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856386
2-(3-bromophenyl)-1-(4-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856429
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856542
2-(3-bromophenyl)-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857357
2-(3-bromophenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857321
1-(3-bromophenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707273
2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857899

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856383) is 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HMJHQXWEZHHRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrNO3/c1-14-7-9-19(10-8-14)28-23(17-5-4-6-18(27)13-17)22-24(29)20-11-15(2)16(3)12-21(20)31-25(22)26(28)30/h4-13,23H,1-3H3.
What are the key properties of 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.35 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).