4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol

C26H20N2O2 — CID 169016358

IUPAC4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
SMILESCn1c2ccccc2c2c(-c3c(O)ccc4c3c3ccccc3n4C)c(O)ccc21
InChIInChI=1S/C26H20N2O2/c1-27-17-9-5-3-7-15(17)23-19(27)11-13-21(29)25(23)26-22(30)14-12-20-24(26)16-8-4-6-10-18(16)28(20)2/h3-14,29-30H,1-2H3
InChIKeyBMTBATDENWGMJU-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.05
Rot. Bonds1

About 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol

4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol (PubChem CID 169016358) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol.

Molecular Properties

Compound Name4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
PubChem CID169016358
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
SMILESCn1c2ccccc2c2c(-c3c(O)ccc4c3c3ccccc3n4C)c(O)ccc21
InChIInChI=1S/C26H20N2O2/c1-27-17-9-5-3-7-15(17)23-19(27)11-13-21(29)25(23)26-22(30)14-12-20-24(26)16-8-4-6-10-18(16)28(20)2/h3-14,29-30H,1-2H3
InChIKeyBMTBATDENWGMJU-UHFFFAOYSA-N
XLogP6.05
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol?
The IUPAC name of 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol (CID 169016358) is 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol.
What is the SMILES notation for 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol?
The canonical SMILES for 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol is Cn1c2ccccc2c2c(-c3c(O)ccc4c3c3ccccc3n4C)c(O)ccc21.
What is the InChIKey of 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol?
The InChIKey is BMTBATDENWGMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-27-17-9-5-3-7-15(17)23-19(27)11-13-21(29)25(23)26-22(30)14-12-20-24(26)16-8-4-6-10-18(16)28(20)2/h3-14,29-30H,1-2H3.
What are the key properties of 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol?
4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol has a molecular weight of 392.46 g/mol, XLogP of 6.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol is sourced from PubChem (CID 169016358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).