3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol

C34H30N4O2 — CID 46702394

IUPAC3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol
SMILESCn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4C)ccc21
InChIInChI=1S/C34H30N4O2/c1-36-27-12-5-3-10-25(27)31-29(36)16-14-22(33(31)39)19-38(21-24-9-7-8-18-35-24)20-23-15-17-30-32(34(23)40)26-11-4-6-13-28(26)37(30)2/h3-18,39-40H,19-21H2,1-2H3
InChIKeyJCVLRAFFTNQHLK-UHFFFAOYSA-N
MW526.64 g/mol
LogP6.99
Rot. Bonds6

About 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol

3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol (PubChem CID 46702394) has the molecular formula C34H30N4O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol.

Molecular Properties

Compound Name3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol
PubChem CID46702394
Molecular FormulaC34H30N4O2
Molecular Weight526.64 g/mol
Exact Mass526.24
IUPAC Name3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol
SMILESCn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4C)ccc21
InChIInChI=1S/C34H30N4O2/c1-36-27-12-5-3-10-25(27)31-29(36)16-14-22(33(31)39)19-38(21-24-9-7-8-18-35-24)20-23-15-17-30-32(34(23)40)26-11-4-6-13-28(26)37(30)2/h3-18,39-40H,19-21H2,1-2H3
InChIKeyJCVLRAFFTNQHLK-UHFFFAOYSA-N
XLogP6.99
TPSA66.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol?
The IUPAC name of 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol (CID 46702394) is 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol.
What is the SMILES notation for 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol?
The canonical SMILES for 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol is Cn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4C)ccc21.
What is the InChIKey of 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol?
The InChIKey is JCVLRAFFTNQHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O2/c1-36-27-12-5-3-10-25(27)31-29(36)16-14-22(33(31)39)19-38(21-24-9-7-8-18-35-24)20-23-15-17-30-32(34(23)40)26-11-4-6-13-28(26)37(30)2/h3-18,39-40H,19-21H2,1-2H3.
What are the key properties of 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol?
3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol has a molecular weight of 526.64 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol is sourced from PubChem (CID 46702394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).