5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione

C24H17NO3 — CID 12049959

IUPAC5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
SMILESCOc1ccc2c(c1)C(=O)c1c(c3ccccc3n1Cc1ccccc1)C2=O
InChIInChI=1S/C24H17NO3/c1-28-16-11-12-17-19(13-16)24(27)22-21(23(17)26)18-9-5-6-10-20(18)25(22)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyFGWDVSVTQNHKSK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.47
Rot. Bonds3

About 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione

5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione (PubChem CID 12049959) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
PubChem CID12049959
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
SMILESCOc1ccc2c(c1)C(=O)c1c(c3ccccc3n1Cc1ccccc1)C2=O
InChIInChI=1S/C24H17NO3/c1-28-16-11-12-17-19(13-16)24(27)22-21(23(17)26)18-9-5-6-10-20(18)25(22)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyFGWDVSVTQNHKSK-UHFFFAOYSA-N
XLogP4.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
6-[(4-methoxyphenyl)methyl]benzo[b]phenanthridine-5,7,12-trione
CID 118710593
10-benzyl-3-methoxyacridin-9-one
CID 12751573
6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 2826365
6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 138585209
8-methoxy-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194430
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 10017977
2-[1-benzyl-3-(4-methoxyphenyl)indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 172638098

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione?
The IUPAC name of 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione (CID 12049959) is 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione.
What is the SMILES notation for 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione?
The canonical SMILES for 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione is COc1ccc2c(c1)C(=O)c1c(c3ccccc3n1Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione?
The InChIKey is FGWDVSVTQNHKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c1-28-16-11-12-17-19(13-16)24(27)22-21(23(17)26)18-9-5-6-10-20(18)25(22)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3.
What are the key properties of 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione?
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione has a molecular weight of 367.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione is sourced from PubChem (CID 12049959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).