bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol

C41H35NO — CID 59628921

IUPACbis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESOC(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)[C@H]1CCCN1
InChIInChI=1S/C41H35NO/c43-41(40-22-13-23-42-40,38-26-34(30-14-5-1-6-15-30)24-35(27-38)31-16-7-2-8-17-31)39-28-36(32-18-9-3-10-19-32)25-37(29-39)33-20-11-4-12-21-33/h1-12,14-21,24-29,40,42-43H,13,22-23H2/t40-/m1/s1
InChIKeyBBMBNOOMBRYEOI-RRHRGVEJSA-N
MW557.74 g/mol
LogP9.34
Rot. Bonds7

About bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol

bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 59628921) has the molecular formula C41H35NO and a molecular weight of 557.74 g/mol. Its IUPAC name is bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namebis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID59628921
Molecular FormulaC41H35NO
Molecular Weight557.74 g/mol
Exact Mass557.27
IUPAC Namebis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESOC(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)[C@H]1CCCN1
InChIInChI=1S/C41H35NO/c43-41(40-22-13-23-42-40,38-26-34(30-14-5-1-6-15-30)24-35(27-38)31-16-7-2-8-17-31)39-28-36(32-18-9-3-10-19-32)25-37(29-39)33-20-11-4-12-21-33/h1-12,14-21,24-29,40,42-43H,13,22-23H2/t40-/m1/s1
InChIKeyBBMBNOOMBRYEOI-RRHRGVEJSA-N
XLogP9.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol (CID 59628921) is bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol is OC(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)[C@H]1CCCN1.
What is the InChIKey of bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is BBMBNOOMBRYEOI-RRHRGVEJSA-N. The full InChI is InChI=1S/C41H35NO/c43-41(40-22-13-23-42-40,38-26-34(30-14-5-1-6-15-30)24-35(27-38)31-16-7-2-8-17-31)39-28-36(32-18-9-3-10-19-32)25-37(29-39)33-20-11-4-12-21-33/h1-12,14-21,24-29,40,42-43H,13,22-23H2/t40-/m1/s1.
What are the key properties of bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 557.74 g/mol, XLogP of 9.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59628921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).