8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole

C26H25NO2 — CID 162657916

IUPAC8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1cccc(C)c1)C=CC(C)(C)O3
InChIInChI=1S/C26H25NO2/c1-17-6-5-7-18(14-17)16-27-23-10-8-19(28-4)15-22(23)20-9-11-24-21(25(20)27)12-13-26(2,3)29-24/h5-15H,16H2,1-4H3
InChIKeyVPLZWUSNSRROEO-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.34
Rot. Bonds3

About 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole

8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole (PubChem CID 162657916) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
PubChem CID162657916
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1cccc(C)c1)C=CC(C)(C)O3
InChIInChI=1S/C26H25NO2/c1-17-6-5-7-18(14-17)16-27-23-10-8-19(28-4)15-22(23)20-9-11-24-21(25(20)27)12-13-26(2,3)29-24/h5-15H,16H2,1-4H3
InChIKeyVPLZWUSNSRROEO-UHFFFAOYSA-N
XLogP6.34
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The IUPAC name of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole (CID 162657916) is 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole.
What is the SMILES notation for 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The canonical SMILES for 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole is COc1ccc2c(c1)c1ccc3c(c1n2Cc1cccc(C)c1)C=CC(C)(C)O3.
What is the InChIKey of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The InChIKey is VPLZWUSNSRROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-17-6-5-7-18(14-17)16-27-23-10-8-19(28-4)15-22(23)20-9-11-24-21(25(20)27)12-13-26(2,3)29-24/h5-15H,16H2,1-4H3.
What are the key properties of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole has a molecular weight of 383.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole is sourced from PubChem (CID 162657916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).