10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione

C30H22N2O3 — CID 11351585

IUPAC10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione
SMILESO=C1OC(=O)C2=C1N(Cc1ccccc1)c1ccccc1C(c1ccccc1)N2c1ccccc1
InChIInChI=1S/C30H22N2O3/c33-29-27-28(30(34)35-29)32(23-16-8-3-9-17-23)26(22-14-6-2-7-15-22)24-18-10-11-19-25(24)31(27)20-21-12-4-1-5-13-21/h1-19,26H,20H2
InChIKeyYPWLAMNVOBNFEO-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.60
Rot. Bonds4

About 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione

10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione (PubChem CID 11351585) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione.

Molecular Properties

Compound Name10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione
PubChem CID11351585
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione
SMILESO=C1OC(=O)C2=C1N(Cc1ccccc1)c1ccccc1C(c1ccccc1)N2c1ccccc1
InChIInChI=1S/C30H22N2O3/c33-29-27-28(30(34)35-29)32(23-16-8-3-9-17-23)26(22-14-6-2-7-15-22)24-18-10-11-19-25(24)31(27)20-21-12-4-1-5-13-21/h1-19,26H,20H2
InChIKeyYPWLAMNVOBNFEO-UHFFFAOYSA-N
XLogP5.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 56980414
1-benzyl-3-butyl-3H-indol-2-one
CID 134908411
1-benzyl-3-methoxy-3H-indol-2-one
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CID 102468949
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CID 10544651
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
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N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
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CID 7036178
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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
The IUPAC name of 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione (CID 11351585) is 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione.
What is the SMILES notation for 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
The canonical SMILES for 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione is O=C1OC(=O)C2=C1N(Cc1ccccc1)c1ccccc1C(c1ccccc1)N2c1ccccc1.
What is the InChIKey of 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
The InChIKey is YPWLAMNVOBNFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c33-29-27-28(30(34)35-29)32(23-16-8-3-9-17-23)26(22-14-6-2-7-15-22)24-18-10-11-19-25(24)31(27)20-21-12-4-1-5-13-21/h1-19,26H,20H2.
What are the key properties of 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione has a molecular weight of 458.52 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-4,5-diphenyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione is sourced from PubChem (CID 11351585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).