1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione

C23H21NO2 — CID 14866756

IUPAC1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione
SMILESCc1c(CC(C)c2ccccc2)c2c(n1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H21NO2/c1-14(16-9-5-4-6-10-16)13-19-15(2)24(3)21-20(19)22(25)17-11-7-8-12-18(17)23(21)26/h4-12,14H,13H2,1-3H3
InChIKeyKSERVKALPDIZFM-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.46
Rot. Bonds3

About 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione

1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione (PubChem CID 14866756) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione
PubChem CID14866756
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione
SMILESCc1c(CC(C)c2ccccc2)c2c(n1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H21NO2/c1-14(16-9-5-4-6-10-16)13-19-15(2)24(3)21-20(19)22(25)17-11-7-8-12-18(17)23(21)26/h4-12,14H,13H2,1-3H3
InChIKeyKSERVKALPDIZFM-UHFFFAOYSA-N
XLogP4.46
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(1,2-dimethyl-4,9-dioxobenzo[f]indol-3-yl)propanoic acid
CID 101113104
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
1,3-dimethyl-2-(2-phenylethenyl)benzo[f]indole-4,9-dione
CID 71416415
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
4-(2-phenylpropyl)isoindole-1,3-dione
CID 142777474
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol
CID 90890207
2-methyl-3-(3-methylbutanoyl)-1-phenylbenzo[f]indole-4,9-dione
CID 71416396
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid
CID 11482958
3-methyl-2-phenylindeno[1,2-d]imidazol-4-one
CID 86059747

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione?
The IUPAC name of 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione (CID 14866756) is 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione.
What is the SMILES notation for 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione?
The canonical SMILES for 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione is Cc1c(CC(C)c2ccccc2)c2c(n1C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione?
The InChIKey is KSERVKALPDIZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-14(16-9-5-4-6-10-16)13-19-15(2)24(3)21-20(19)22(25)17-11-7-8-12-18(17)23(21)26/h4-12,14H,13H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione?
1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione has a molecular weight of 343.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-phenylpropyl)benzo[f]indole-4,9-dione is sourced from PubChem (CID 14866756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).