9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione

C45H36N4O6 — CID 10417481

IUPAC9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
SMILESO=C1C2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)CC2C(=O)N1CCCN1C(=O)C2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)CC2C1=O
InChIInChI=1S/C45H36N4O6/c50-40(26-12-3-1-4-13-26)48-36-18-9-7-16-28(36)30-22-32-34(24-38(30)48)44(54)46(42(32)52)20-11-21-47-43(53)33-23-31-29-17-8-10-19-37(29)49(39(31)25-35(33)45(47)55)41(51)27-14-5-2-6-15-27/h1-10,12-19,32-35H,11,20-25H2
InChIKeyICVWGMYVBNODRR-UHFFFAOYSA-N
MW728.81 g/mol
LogP5.46
Rot. Bonds6

About 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione

9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione (PubChem CID 10417481) has the molecular formula C45H36N4O6 and a molecular weight of 728.81 g/mol. Its IUPAC name is 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione.

Molecular Properties

Compound Name9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
PubChem CID10417481
Molecular FormulaC45H36N4O6
Molecular Weight728.81 g/mol
Exact Mass728.26
IUPAC Name9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
SMILESO=C1C2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)CC2C(=O)N1CCCN1C(=O)C2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)CC2C1=O
InChIInChI=1S/C45H36N4O6/c50-40(26-12-3-1-4-13-26)48-36-18-9-7-16-28(36)30-22-32-34(24-38(30)48)44(54)46(42(32)52)20-11-21-47-43(53)33-23-31-29-17-8-10-19-37(29)49(39(31)25-35(33)45(47)55)41(51)27-14-5-2-6-15-27/h1-10,12-19,32-35H,11,20-25H2
InChIKeyICVWGMYVBNODRR-UHFFFAOYSA-N
XLogP5.46
TPSA118.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.81
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione with MolForge

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Related Compounds

methyl 6-cyano-2-[3-(6-cyano-9-methoxycarbonyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-9-carboxylate
CID 10676086
(3aR,10aR)-9-acetyl-2-(4-acetylphenyl)-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 5326059
(2,3-dimethylideneindol-1-yl)-phenylmethanone
CID 24978319
bis[4-(9-acetyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)phenyl] hydrogen phosphate
CID 11072844
(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
CID 22569367
(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
CID 156788671
2-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 4803502
(2-amino-1-benzoylindol-3-yl)-phenylmethanone
CID 51700673
4-benzoyl-2-[(1-benzylpiperidin-4-yl)methylidene]-1H-cyclopenta[b]indol-3-one
CID 54356691
4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 175145821
(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
CID 164524647
(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione?
The IUPAC name of 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione (CID 10417481) is 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione.
What is the SMILES notation for 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione?
The canonical SMILES for 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione is O=C1C2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)CC2C(=O)N1CCCN1C(=O)C2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)CC2C1=O.
What is the InChIKey of 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione?
The InChIKey is ICVWGMYVBNODRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O6/c50-40(26-12-3-1-4-13-26)48-36-18-9-7-16-28(36)30-22-32-34(24-38(30)48)44(54)46(42(32)52)20-11-21-47-43(53)33-23-31-29-17-8-10-19-37(29)49(39(31)25-35(33)45(47)55)41(51)27-14-5-2-6-15-27/h1-10,12-19,32-35H,11,20-25H2.
What are the key properties of 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione?
9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione has a molecular weight of 728.81 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione is sourced from PubChem (CID 10417481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).