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

C34H30N4O2 — CID 46704261

IUPAC3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol
SMILESCn1c2ccccc2c2cc(CN(Cc3ccccn3)Cc3cc4c5ccccc5n(C)c4cc3O)c(O)cc21
InChIInChI=1S/C34H30N4O2/c1-36-29-12-5-3-10-25(29)27-15-22(33(39)17-31(27)36)19-38(21-24-9-7-8-14-35-24)20-23-16-28-26-11-4-6-13-30(26)37(2)32(28)18-34(23)40/h3-18,39-40H,19-21H2,1-2H3
InChIKeyZQJIFJRQGCQLGS-UHFFFAOYSA-N
MW526.64 g/mol
LogP6.99
Rot. Bonds6

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

3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol (PubChem CID 46704261) has the molecular formula C34H30N4O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol.

Molecular Properties

Compound Name3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol
PubChem CID46704261
Molecular FormulaC34H30N4O2
Molecular Weight526.64 g/mol
Exact Mass526.24
IUPAC Name3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol
SMILESCn1c2ccccc2c2cc(CN(Cc3ccccn3)Cc3cc4c5ccccc5n(C)c4cc3O)c(O)cc21
InChIInChI=1S/C34H30N4O2/c1-36-29-12-5-3-10-25(29)27-15-22(33(39)17-31(27)36)19-38(21-24-9-7-8-14-35-24)20-23-16-28-26-11-4-6-13-30(26)37(2)32(28)18-34(23)40/h3-18,39-40H,19-21H2,1-2H3
InChIKeyZQJIFJRQGCQLGS-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-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol?
The IUPAC name of 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol (CID 46704261) is 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol.
What is the SMILES notation for 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol?
The canonical SMILES for 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol is Cn1c2ccccc2c2cc(CN(Cc3ccccn3)Cc3cc4c5ccccc5n(C)c4cc3O)c(O)cc21.
What is the InChIKey of 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol?
The InChIKey is ZQJIFJRQGCQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O2/c1-36-29-12-5-3-10-25(29)27-15-22(33(39)17-31(27)36)19-38(21-24-9-7-8-14-35-24)20-23-16-28-26-11-4-6-13-30(26)37(2)32(28)18-34(23)40/h3-18,39-40H,19-21H2,1-2H3.
What are the key properties of 3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol?
3-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-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-[[(2-hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol is sourced from PubChem (CID 46704261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).