11-phenylisochromeno[3,4-a]carbazol-13-one

C25H15NO2 — CID 118248339

IUPAC11-phenylisochromeno[3,4-a]carbazol-13-one
SMILESO=c1oc2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2ccccc12
InChIInChI=1S/C25H15NO2/c27-25-21-12-5-4-10-17(21)20-15-14-19-18-11-6-7-13-22(18)26(23(19)24(20)28-25)16-8-2-1-3-9-16/h1-15H
InChIKeyLSMDPHCIKPOQFS-UHFFFAOYSA-N
MW361.40 g/mol
LogP6.04
Rot. Bonds1

About 11-phenylisochromeno[3,4-a]carbazol-13-one

11-phenylisochromeno[3,4-a]carbazol-13-one (PubChem CID 118248339) has the molecular formula C25H15NO2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 11-phenylisochromeno[3,4-a]carbazol-13-one.

Molecular Properties

Compound Name11-phenylisochromeno[3,4-a]carbazol-13-one
PubChem CID118248339
Molecular FormulaC25H15NO2
Molecular Weight361.40 g/mol
Exact Mass361.11
IUPAC Name11-phenylisochromeno[3,4-a]carbazol-13-one
SMILESO=c1oc2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2ccccc12
InChIInChI=1S/C25H15NO2/c27-25-21-12-5-4-10-17(21)20-15-14-19-18-11-6-7-13-22(18)26(23(19)24(20)28-25)16-8-2-1-3-9-16/h1-15H
InChIKeyLSMDPHCIKPOQFS-UHFFFAOYSA-N
XLogP6.04
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-21-oxa-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one
CID 118248294
11-(4,6-diphenyl-1,3,5-triazin-2-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248412
12-methyl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 147424004
6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one
CID 118248474
8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one
CID 121242427
11-(9,9-dimethylfluoren-3-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248343
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
11-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]isochromeno[3,4-a]carbazol-13-one
CID 122677290
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278

Frequently Asked Questions

What is the IUPAC name of 11-phenylisochromeno[3,4-a]carbazol-13-one?
The IUPAC name of 11-phenylisochromeno[3,4-a]carbazol-13-one (CID 118248339) is 11-phenylisochromeno[3,4-a]carbazol-13-one.
What is the SMILES notation for 11-phenylisochromeno[3,4-a]carbazol-13-one?
The canonical SMILES for 11-phenylisochromeno[3,4-a]carbazol-13-one is O=c1oc2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2ccccc12.
What is the InChIKey of 11-phenylisochromeno[3,4-a]carbazol-13-one?
The InChIKey is LSMDPHCIKPOQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO2/c27-25-21-12-5-4-10-17(21)20-15-14-19-18-11-6-7-13-22(18)26(23(19)24(20)28-25)16-8-2-1-3-9-16/h1-15H.
What are the key properties of 11-phenylisochromeno[3,4-a]carbazol-13-one?
11-phenylisochromeno[3,4-a]carbazol-13-one has a molecular weight of 361.40 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylisochromeno[3,4-a]carbazol-13-one is sourced from PubChem (CID 118248339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).