11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole

C25H23NO2 — CID 162647043

IUPAC11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1ccccc1)C=CC(C)(C)O3
InChIInChI=1S/C25H23NO2/c1-25(2)14-13-20-23(28-25)12-10-19-21-15-18(27-3)9-11-22(21)26(24(19)20)16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3
InChIKeyDCYQGTWCVFYHSK-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.04
Rot. Bonds3

About 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole

11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole (PubChem CID 162647043) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole.

Molecular Properties

Compound Name11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole
PubChem CID162647043
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1ccccc1)C=CC(C)(C)O3
InChIInChI=1S/C25H23NO2/c1-25(2)14-13-20-23(28-25)12-10-19-21-15-18(27-3)9-11-22(21)26(24(19)20)16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3
InChIKeyDCYQGTWCVFYHSK-UHFFFAOYSA-N
XLogP6.04
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The IUPAC name of 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole (CID 162647043) is 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole.
What is the SMILES notation for 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The canonical SMILES for 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole is COc1ccc2c(c1)c1ccc3c(c1n2Cc1ccccc1)C=CC(C)(C)O3.
What is the InChIKey of 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The InChIKey is DCYQGTWCVFYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-25(2)14-13-20-23(28-25)12-10-19-21-15-18(27-3)9-11-22(21)26(24(19)20)16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3.
What are the key properties of 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole has a molecular weight of 369.46 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole is sourced from PubChem (CID 162647043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).