(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol

C34H31NO — CID 135024978

IUPAC(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H31NO/c36-34(31-22-12-4-13-23-31,32-24-14-5-15-25-32)33(30-20-10-3-11-21-30)35(26-28-16-6-1-7-17-28)27-29-18-8-2-9-19-29/h1-25,33,36H,26-27H2/t33-/m0/s1
InChIKeyHMXIOIXXPLSLSV-XIFFEERXSA-N
MW469.63 g/mol
LogP7.37
Rot. Bonds9

About (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol

(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol (PubChem CID 135024978) has the molecular formula C34H31NO and a molecular weight of 469.63 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol
PubChem CID135024978
Molecular FormulaC34H31NO
Molecular Weight469.63 g/mol
Exact Mass469.24
IUPAC Name(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H31NO/c36-34(31-22-12-4-13-23-31,32-24-14-5-15-25-32)33(30-20-10-3-11-21-30)35(26-28-16-6-1-7-17-28)27-29-18-8-2-9-19-29/h1-25,33,36H,26-27H2/t33-/m0/s1
InChIKeyHMXIOIXXPLSLSV-XIFFEERXSA-N
XLogP7.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol?
The IUPAC name of (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol (CID 135024978) is (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol.
What is the SMILES notation for (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol?
The canonical SMILES for (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol is OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol?
The InChIKey is HMXIOIXXPLSLSV-XIFFEERXSA-N. The full InChI is InChI=1S/C34H31NO/c36-34(31-22-12-4-13-23-31,32-24-14-5-15-25-32)33(30-20-10-3-11-21-30)35(26-28-16-6-1-7-17-28)27-29-18-8-2-9-19-29/h1-25,33,36H,26-27H2/t33-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol?
(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol has a molecular weight of 469.63 g/mol, XLogP of 7.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-1,1,2-triphenylethanol is sourced from PubChem (CID 135024978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).