6-phenyl-1H-benzo[cd]indol-2-one

C17H11NO — CID 165358771

IUPAC6-phenyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(-c3ccccc3)c3cccc1c23
InChIInChI=1S/C17H11NO/c19-17-14-8-4-7-13-12(11-5-2-1-3-6-11)9-10-15(18-17)16(13)14/h1-10H,(H,18,19)
InChIKeyZDVZVMLJINGDJV-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.07
Rot. Bonds1

About 6-phenyl-1H-benzo[cd]indol-2-one

6-phenyl-1H-benzo[cd]indol-2-one (PubChem CID 165358771) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-phenyl-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-phenyl-1H-benzo[cd]indol-2-one
PubChem CID165358771
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name6-phenyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(-c3ccccc3)c3cccc1c23
InChIInChI=1S/C17H11NO/c19-17-14-8-4-7-13-12(11-5-2-1-3-6-11)9-10-15(18-17)16(13)14/h1-10H,(H,18,19)
InChIKeyZDVZVMLJINGDJV-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-iodo-1H-benzo[cd]indol-2-one
CID 626440
5-(phenyldisulfanyl)-1H-benzo[cd]indol-2-one
CID 21393376
N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 1358127
4,6-dihydroxy-5-phenylbenzo[de]isoquinoline-1,3-dione
CID 91824339
5-phenyl-2H-acenaphthylen-1-one
CID 86088693
5-ethoxy-1H-benzo[cd]indol-2-one
CID 23460821
1,1-bis(2-oxo-1H-benzo[cd]indol-6-yl)guanidine
CID 67594830
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
4,5-dibromo-1-phenylnaphthalene
CID 155350544
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
CID 123235344
6-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1H-benzo[cd]indol-2-one
CID 155194678
6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione
CID 102140808

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-phenyl-1H-benzo[cd]indol-2-one (CID 165358771) is 6-phenyl-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-phenyl-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-phenyl-1H-benzo[cd]indol-2-one is O=C1Nc2ccc(-c3ccccc3)c3cccc1c23.
What is the InChIKey of 6-phenyl-1H-benzo[cd]indol-2-one?
The InChIKey is ZDVZVMLJINGDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c19-17-14-8-4-7-13-12(11-5-2-1-3-6-11)9-10-15(18-17)16(13)14/h1-10H,(H,18,19).
What are the key properties of 6-phenyl-1H-benzo[cd]indol-2-one?
6-phenyl-1H-benzo[cd]indol-2-one has a molecular weight of 245.28 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 165358771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).