10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one

C66H44BBrN6O4 — CID 165079482

IUPAC10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one
SMILESO=c1[nH]c2ccccc2c2c1[nH]c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12.O=c1[nH]c2ccccc2c2c1[nH]c1ccc(Br)cc12.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C33H21N3O.C18H14BNO2.C15H9BrN2O/c37-33-32-31(24-11-4-6-12-27(24)35-33)26-19-20(14-16-28(26)34-32)21-15-17-30-25(18-21)23-10-5-7-13-29(23)36(30)22-8-2-1-3-9-22;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;16-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)18-15(19)14(13)17-12/h1-19,34H,(H,35,37);1-12,21-22H;1-7,17H,(H,18,19)
InChIKeyUWNOYIGOVMHDBA-UHFFFAOYSA-N
MW1075.83 g/mol
LogP14.32
Rot. Bonds4

About 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one

10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one (PubChem CID 165079482) has the molecular formula C66H44BBrN6O4 and a molecular weight of 1075.83 g/mol. Its IUPAC name is 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one
PubChem CID165079482
Molecular FormulaC66H44BBrN6O4
Molecular Weight1075.83 g/mol
Exact Mass1074.27
IUPAC Name10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one
SMILESO=c1[nH]c2ccccc2c2c1[nH]c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12.O=c1[nH]c2ccccc2c2c1[nH]c1ccc(Br)cc12.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C33H21N3O.C18H14BNO2.C15H9BrN2O/c37-33-32-31(24-11-4-6-12-27(24)35-33)26-19-20(14-16-28(26)34-32)21-15-17-30-25(18-21)23-10-5-7-13-29(23)36(30)22-8-2-1-3-9-22;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;16-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)18-15(19)14(13)17-12/h1-19,34H,(H,35,37);1-12,21-22H;1-7,17H,(H,18,19)
InChIKeyUWNOYIGOVMHDBA-UHFFFAOYSA-N
XLogP14.32
TPSA147.62 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.83
LogP ≤ 514.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one?
The IUPAC name of 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one (CID 165079482) is 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one?
The canonical SMILES for 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one is O=c1[nH]c2ccccc2c2c1[nH]c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12.O=c1[nH]c2ccccc2c2c1[nH]c1ccc(Br)cc12.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one?
The InChIKey is UWNOYIGOVMHDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O.C18H14BNO2.C15H9BrN2O/c37-33-32-31(24-11-4-6-12-27(24)35-33)26-19-20(14-16-28(26)34-32)21-15-17-30-25(18-21)23-10-5-7-13-29(23)36(30)22-8-2-1-3-9-22;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;16-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)18-15(19)14(13)17-12/h1-19,34H,(H,35,37);1-12,21-22H;1-7,17H,(H,18,19).
What are the key properties of 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one?
10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one has a molecular weight of 1075.83 g/mol, XLogP of 14.32, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 165079482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).