9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde

C23H21NO2 — CID 122225837

IUPAC9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c1c(C)c(C=O)cc(C)c1n2Cc1ccccc1
InChIInChI=1S/C23H21NO2/c1-15-11-18(14-25)16(2)22-20-12-19(26-3)9-10-21(20)24(23(15)22)13-17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3
InChIKeyCJXCVRYJEMGELW-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.28
Rot. Bonds4

About 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde

9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde (PubChem CID 122225837) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde
PubChem CID122225837
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c1c(C)c(C=O)cc(C)c1n2Cc1ccccc1
InChIInChI=1S/C23H21NO2/c1-15-11-18(14-25)16(2)22-20-12-19(26-3)9-10-21(20)24(23(15)22)13-17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3
InChIKeyCJXCVRYJEMGELW-UHFFFAOYSA-N
XLogP5.28
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9-benzyl-6-methoxy-4-methyl-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 54227252
2-(9-benzyl-4-ethyl-6-methoxy-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 67696118
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one
CID 134974772
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
9-benzyl-7-methoxy-5-methylcarbazol-3-ol
CID 132551459
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
10-benzyl-3-methoxyacridin-9-one
CID 12751573
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde?
The IUPAC name of 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde (CID 122225837) is 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde.
What is the SMILES notation for 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde?
The canonical SMILES for 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde is COc1ccc2c(c1)c1c(C)c(C=O)cc(C)c1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde?
The InChIKey is CJXCVRYJEMGELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15-11-18(14-25)16(2)22-20-12-19(26-3)9-10-21(20)24(23(15)22)13-17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3.
What are the key properties of 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde?
9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde has a molecular weight of 343.43 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde is sourced from PubChem (CID 122225837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).