9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol

C27H22N2O2 — CID 122194974

IUPAC9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol
SMILESCOc1c(O)c(C)cc2c3ccccc3n(Cc3ccc4[nH]c5ccccc5c4c3)c12
InChIInChI=1S/C27H22N2O2/c1-16-13-21-19-8-4-6-10-24(19)29(25(21)27(31-2)26(16)30)15-17-11-12-23-20(14-17)18-7-3-5-9-22(18)28-23/h3-14,28,30H,15H2,1-2H3
InChIKeyXLYNVXKPNJGYBH-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.50
Rot. Bonds3

About 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol

9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol (PubChem CID 122194974) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol.

Molecular Properties

Compound Name9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol
PubChem CID122194974
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol
SMILESCOc1c(O)c(C)cc2c3ccccc3n(Cc3ccc4[nH]c5ccccc5c4c3)c12
InChIInChI=1S/C27H22N2O2/c1-16-13-21-19-8-4-6-10-24(19)29(25(21)27(31-2)26(16)30)15-17-11-12-23-20(14-17)18-7-3-5-9-22(18)28-23/h3-14,28,30H,15H2,1-2H3
InChIKeyXLYNVXKPNJGYBH-UHFFFAOYSA-N
XLogP6.50
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol 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 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol?
The IUPAC name of 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol (CID 122194974) is 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol.
What is the SMILES notation for 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol?
The canonical SMILES for 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol is COc1c(O)c(C)cc2c3ccccc3n(Cc3ccc4[nH]c5ccccc5c4c3)c12.
What is the InChIKey of 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol?
The InChIKey is XLYNVXKPNJGYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-16-13-21-19-8-4-6-10-24(19)29(25(21)27(31-2)26(16)30)15-17-11-12-23-20(14-17)18-7-3-5-9-22(18)28-23/h3-14,28,30H,15H2,1-2H3.
What are the key properties of 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol?
9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol has a molecular weight of 406.49 g/mol, XLogP of 6.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methylcarbazol-2-ol is sourced from PubChem (CID 122194974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).