9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C20H13N3O2 — CID 138467830

IUPAC9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESNc1ccc2[nH]c3cc(-c4ccccc4)c4c(c3c2c1)C(=O)NC4=O
InChIInChI=1S/C20H13N3O2/c21-11-6-7-14-13(8-11)16-15(22-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)23-19(17)24/h1-9,22H,21H2,(H,23,24,25)
InChIKeyOXBWLUWWASZAKK-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.45
Rot. Bonds1

About 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 138467830) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID138467830
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESNc1ccc2[nH]c3cc(-c4ccccc4)c4c(c3c2c1)C(=O)NC4=O
InChIInChI=1S/C20H13N3O2/c21-11-6-7-14-13(8-11)16-15(22-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)23-19(17)24/h1-9,22H,21H2,(H,23,24,25)
InChIKeyOXBWLUWWASZAKK-UHFFFAOYSA-N
XLogP3.45
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxy-4-(2-phenylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844611
9-hydroxy-4-(3-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844751
4-(3-chlorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844613
9-hydroxy-4-pyridin-4-yl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11843430
4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 10386664
4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11842998
6-amino-3-phenyl-1H-quinolin-2-one
CID 118872239
4-(3,5-dinitrophenyl)-9-methoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 86760191
3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
CID 143364157
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609

Frequently Asked Questions

What is the IUPAC name of 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 138467830) is 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is Nc1ccc2[nH]c3cc(-c4ccccc4)c4c(c3c2c1)C(=O)NC4=O.
What is the InChIKey of 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is OXBWLUWWASZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c21-11-6-7-14-13(8-11)16-15(22-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)23-19(17)24/h1-9,22H,21H2,(H,23,24,25).
What are the key properties of 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 327.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 138467830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).