8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione

C33H21BrN2O2 — CID 151007664

IUPAC8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2cc(Br)ccc2c2c3c(c(-c4ccccc4)c(-c4ccccc4)c21)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C33H21BrN2O2/c1-35-25-19-22(34)17-18-24(25)28-30-29(32(37)36(33(30)38)23-15-9-4-10-16-23)26(20-11-5-2-6-12-20)27(31(28)35)21-13-7-3-8-14-21/h2-19H,1H3
InChIKeyLVKWUQLGFXAINL-UHFFFAOYSA-N
MW557.45 g/mol
LogP8.23
Rot. Bonds3

About 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione

8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 151007664) has the molecular formula C33H21BrN2O2 and a molecular weight of 557.45 g/mol. Its IUPAC name is 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID151007664
Molecular FormulaC33H21BrN2O2
Molecular Weight557.45 g/mol
Exact Mass556.08
IUPAC Name8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2cc(Br)ccc2c2c3c(c(-c4ccccc4)c(-c4ccccc4)c21)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C33H21BrN2O2/c1-35-25-19-22(34)17-18-24(25)28-30-29(32(37)36(33(30)38)23-15-9-4-10-16-23)26(20-11-5-2-6-12-20)27(31(28)35)21-13-7-3-8-14-21/h2-19H,1H3
InChIKeyLVKWUQLGFXAINL-UHFFFAOYSA-N
XLogP8.23
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.45
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 151007664) is 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione is Cn1c2cc(Br)ccc2c2c3c(c(-c4ccccc4)c(-c4ccccc4)c21)C(=O)N(c1ccccc1)C3=O.
What is the InChIKey of 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is LVKWUQLGFXAINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrN2O2/c1-35-25-19-22(34)17-18-24(25)28-30-29(32(37)36(33(30)38)23-15-9-4-10-16-23)26(20-11-5-2-6-12-20)27(31(28)35)21-13-7-3-8-14-21/h2-19H,1H3.
What are the key properties of 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione?
8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 557.45 g/mol, XLogP of 8.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-2,4,5-triphenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 151007664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).