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

C26H17NO2 — CID 118248474

IUPAC6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one
SMILESCc1cc2c3ccccc3c(=O)oc2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H17NO2/c1-16-15-21-18-11-5-6-12-19(18)26(28)29-25(21)24-23(16)20-13-7-8-14-22(20)27(24)17-9-3-2-4-10-17/h2-15H,1H3
InChIKeyVSGWUIKSWLNSHB-UHFFFAOYSA-N
MW375.43 g/mol
LogP6.35
Rot. Bonds1

About 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one

6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one (PubChem CID 118248474) has the molecular formula C26H17NO2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one.

Molecular Properties

Compound Name6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one
PubChem CID118248474
Molecular FormulaC26H17NO2
Molecular Weight375.43 g/mol
Exact Mass375.13
IUPAC Name6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one
SMILESCc1cc2c3ccccc3c(=O)oc2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H17NO2/c1-16-15-21-18-11-5-6-12-19(18)26(28)29-25(21)24-23(16)20-13-7-8-14-22(20)27(24)17-9-3-2-4-10-17/h2-15H,1H3
InChIKeyVSGWUIKSWLNSHB-UHFFFAOYSA-N
XLogP6.35
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 56.35
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'}

Analyze 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one 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

11-phenylisochromeno[3,4-a]carbazol-13-one
CID 118248339
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
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one
CID 121242427
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163419363
5-methyl-6-(2-methylphenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 144726077
18-phenyl-9-triphenylen-2-yl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634541
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
CID 118248537
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
6-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 123156036
6-methyl-11-phenylindolo[3,2-c]quinoline
CID 177491970
7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598134

Frequently Asked Questions

What is the IUPAC name of 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one?
The IUPAC name of 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one (CID 118248474) is 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one.
What is the SMILES notation for 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one?
The canonical SMILES for 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one is Cc1cc2c3ccccc3c(=O)oc2c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one?
The InChIKey is VSGWUIKSWLNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO2/c1-16-15-21-18-11-5-6-12-19(18)26(28)29-25(21)24-23(16)20-13-7-8-14-22(20)27(24)17-9-3-2-4-10-17/h2-15H,1H3.
What are the key properties of 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one?
6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one has a molecular weight of 375.43 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one is sourced from PubChem (CID 118248474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).