(1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol

C30H23NO — CID 134948671

IUPAC(1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol
SMILESO[C@@H](c1ccc2ccccc2c1)[C@H](c1ccc2ccccc2c1)c1c[nH]c2ccccc12
InChIInChI=1S/C30H23NO/c32-30(25-16-14-21-8-2-4-10-23(21)18-25)29(27-19-31-28-12-6-5-11-26(27)28)24-15-13-20-7-1-3-9-22(20)17-24/h1-19,29-32H/t29-,30+/m1/s1
InChIKeyIBOJYOFSZASQIX-IHLOFXLRSA-N
MW413.52 g/mol
LogP7.34
Rot. Bonds4

About (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol

(1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol (PubChem CID 134948671) has the molecular formula C30H23NO and a molecular weight of 413.52 g/mol. Its IUPAC name is (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol
PubChem CID134948671
Molecular FormulaC30H23NO
Molecular Weight413.52 g/mol
Exact Mass413.18
IUPAC Name(1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol
SMILESO[C@@H](c1ccc2ccccc2c1)[C@H](c1ccc2ccccc2c1)c1c[nH]c2ccccc12
InChIInChI=1S/C30H23NO/c32-30(25-16-14-21-8-2-4-10-23(21)18-25)29(27-19-31-28-12-6-5-11-26(27)28)24-15-13-20-7-1-3-9-22(20)17-24/h1-19,29-32H/t29-,30+/m1/s1
InChIKeyIBOJYOFSZASQIX-IHLOFXLRSA-N
XLogP7.34
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol 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 (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol?
The IUPAC name of (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol (CID 134948671) is (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol.
What is the SMILES notation for (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol?
The canonical SMILES for (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol is O[C@@H](c1ccc2ccccc2c1)[C@H](c1ccc2ccccc2c1)c1c[nH]c2ccccc12.
What is the InChIKey of (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol?
The InChIKey is IBOJYOFSZASQIX-IHLOFXLRSA-N. The full InChI is InChI=1S/C30H23NO/c32-30(25-16-14-21-8-2-4-10-23(21)18-25)29(27-19-31-28-12-6-5-11-26(27)28)24-15-13-20-7-1-3-9-22(20)17-24/h1-19,29-32H/t29-,30+/m1/s1.
What are the key properties of (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol?
(1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol has a molecular weight of 413.52 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(1H-indol-3-yl)-1,2-dinaphthalen-2-ylethanol is sourced from PubChem (CID 134948671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).