phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone

C27H16N2O — CID 3122495

IUPACphenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C27H16N2O/c30-27(17-8-2-1-3-9-17)18-14-15-23-24(16-18)29-26-22-13-7-5-11-20(22)19-10-4-6-12-21(19)25(26)28-23/h1-16H
InChIKeyCZQQLPPWBLKOPF-UHFFFAOYSA-N
MW384.44 g/mol
LogP6.32
Rot. Bonds2

About phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone

phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone (PubChem CID 3122495) has the molecular formula C27H16N2O and a molecular weight of 384.44 g/mol. Its IUPAC name is phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone.

Molecular Properties

Compound Namephenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
PubChem CID3122495
Molecular FormulaC27H16N2O
Molecular Weight384.44 g/mol
Exact Mass384.13
IUPAC Namephenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C27H16N2O/c30-27(17-8-2-1-3-9-17)18-14-15-23-24(16-18)29-26-22-13-7-5-11-20(22)19-10-4-6-12-21(19)25(26)28-23/h1-16H
InChIKeyCZQQLPPWBLKOPF-UHFFFAOYSA-N
XLogP6.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[a]phenazin-9-yl(phenyl)methanone
CID 57411317
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
phenanthren-2-yl(phenyl)methanone
CID 131857195
(2,3-dipyridin-2-ylquinoxalin-6-yl)-phenylmethanone
CID 54672430
N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3105372
N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 2857830
[5-methyl-5-(2-methylprop-1-enyl)-6-oxa-15,22-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),8,10,12,14,16(21),17,19-nonaen-18-yl]-phenylmethanone
CID 57411085
(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone
CID 22023975
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
phenyl-(5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20(25),21,23-nonaen-23-yl)methanone
CID 76526666
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[5-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]-6-oxa-15,22-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),8,10,12,14,16(21),17,19-nonaen-19-yl]-phenylmethanone
CID 57410717

Frequently Asked Questions

What is the IUPAC name of phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone?
The IUPAC name of phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone (CID 3122495) is phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone.
What is the SMILES notation for phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone?
The canonical SMILES for phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.
What is the InChIKey of phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone?
The InChIKey is CZQQLPPWBLKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N2O/c30-27(17-8-2-1-3-9-17)18-14-15-23-24(16-18)29-26-22-13-7-5-11-20(22)19-10-4-6-12-21(19)25(26)28-23/h1-16H.
What are the key properties of phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone?
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone has a molecular weight of 384.44 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone is sourced from PubChem (CID 3122495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).