3-phenyl-1H-benzo[e]indol-2-one

C18H13NO — CID 11139819

IUPAC3-phenyl-1H-benzo[e]indol-2-one
SMILESO=C1Cc2c(ccc3ccccc23)N1c1ccccc1
InChIInChI=1S/C18H13NO/c20-18-12-16-15-9-5-4-6-13(15)10-11-17(16)19(18)14-7-2-1-3-8-14/h1-11H,12H2
InChIKeyPRPLTCSEQOFORB-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.06
Rot. Bonds1

About 3-phenyl-1H-benzo[e]indol-2-one

3-phenyl-1H-benzo[e]indol-2-one (PubChem CID 11139819) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-phenyl-1H-benzo[e]indol-2-one.

Molecular Properties

Compound Name3-phenyl-1H-benzo[e]indol-2-one
PubChem CID11139819
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name3-phenyl-1H-benzo[e]indol-2-one
SMILESO=C1Cc2c(ccc3ccccc23)N1c1ccccc1
InChIInChI=1S/C18H13NO/c20-18-12-16-15-9-5-4-6-13(15)10-11-17(16)19(18)14-7-2-1-3-8-14/h1-11H,12H2
InChIKeyPRPLTCSEQOFORB-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methoxy-1-phenyl-3H-indol-2-one
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11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene
CID 159057231
2,13-diphenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
CID 20767416

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-benzo[e]indol-2-one?
The IUPAC name of 3-phenyl-1H-benzo[e]indol-2-one (CID 11139819) is 3-phenyl-1H-benzo[e]indol-2-one.
What is the SMILES notation for 3-phenyl-1H-benzo[e]indol-2-one?
The canonical SMILES for 3-phenyl-1H-benzo[e]indol-2-one is O=C1Cc2c(ccc3ccccc23)N1c1ccccc1.
What is the InChIKey of 3-phenyl-1H-benzo[e]indol-2-one?
The InChIKey is PRPLTCSEQOFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c20-18-12-16-15-9-5-4-6-13(15)10-11-17(16)19(18)14-7-2-1-3-8-14/h1-11H,12H2.
What are the key properties of 3-phenyl-1H-benzo[e]indol-2-one?
3-phenyl-1H-benzo[e]indol-2-one has a molecular weight of 259.31 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-benzo[e]indol-2-one is sourced from PubChem (CID 11139819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).