11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole

C26H24ClNO3 — CID 162668187

IUPAC11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole
SMILESCOc1cc2c3ccc4c(c3n(Cc3cccc(Cl)c3)c2cc1OC)C=CC(C)(C)O4
InChIInChI=1S/C26H24ClNO3/c1-26(2)11-10-19-22(31-26)9-8-18-20-13-23(29-3)24(30-4)14-21(20)28(25(18)19)15-16-6-5-7-17(27)12-16/h5-14H,15H2,1-4H3
InChIKeyMOQWTUPVQFNVRE-UHFFFAOYSA-N
MW433.94 g/mol
LogP6.70
Rot. Bonds4

About 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole

11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole (PubChem CID 162668187) has the molecular formula C26H24ClNO3 and a molecular weight of 433.94 g/mol. Its IUPAC name is 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole.

Molecular Properties

Compound Name11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole
PubChem CID162668187
Molecular FormulaC26H24ClNO3
Molecular Weight433.94 g/mol
Exact Mass433.14
IUPAC Name11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole
SMILESCOc1cc2c3ccc4c(c3n(Cc3cccc(Cl)c3)c2cc1OC)C=CC(C)(C)O4
InChIInChI=1S/C26H24ClNO3/c1-26(2)11-10-19-22(31-26)9-8-18-20-13-23(29-3)24(30-4)14-21(20)28(25(18)19)15-16-6-5-7-17(27)12-16/h5-14H,15H2,1-4H3
InChIKeyMOQWTUPVQFNVRE-UHFFFAOYSA-N
XLogP6.70
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The IUPAC name of 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole (CID 162668187) is 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole.
What is the SMILES notation for 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The canonical SMILES for 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole is COc1cc2c3ccc4c(c3n(Cc3cccc(Cl)c3)c2cc1OC)C=CC(C)(C)O4.
What is the InChIKey of 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The InChIKey is MOQWTUPVQFNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO3/c1-26(2)11-10-19-22(31-26)9-8-18-20-13-23(29-3)24(30-4)14-21(20)28(25(18)19)15-16-6-5-7-17(27)12-16/h5-14H,15H2,1-4H3.
What are the key properties of 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole?
11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole has a molecular weight of 433.94 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3-chlorophenyl)methyl]-8,9-dimethoxy-3,3-dimethylpyrano[3,2-a]carbazole is sourced from PubChem (CID 162668187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).