bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)

C84H84N4O4 — CID 139051364

IUPACbis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)
SMILESCC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccncc1
InChIInChI=1S/4C21H21NO/c4*1-2-20(17-9-5-3-6-10-17)21(23,18-11-7-4-8-12-18)19-13-15-22-16-14-19/h4*3-16,20,23H,2H2,1H3/t4*20-,21+/m1100/s1
InChIKeyWLCHWTCPMWLFPC-MJRJXRGLSA-N
MW1213.62 g/mol
LogP18.05
Rot. Bonds20

About bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)

bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol) (PubChem CID 139051364) has the molecular formula C84H84N4O4 and a molecular weight of 1213.62 g/mol. Its IUPAC name is bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol).

Molecular Properties

Compound Namebis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)
PubChem CID139051364
Molecular FormulaC84H84N4O4
Molecular Weight1213.62 g/mol
Exact Mass1212.65
IUPAC Namebis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)
SMILESCC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccncc1
InChIInChI=1S/4C21H21NO/c4*1-2-20(17-9-5-3-6-10-17)21(23,18-11-7-4-8-12-18)19-13-15-22-16-14-19/h4*3-16,20,23H,2H2,1H3/t4*20-,21+/m1100/s1
InChIKeyWLCHWTCPMWLFPC-MJRJXRGLSA-N
XLogP18.05
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.62
LogP ≤ 518.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 19425757
3-(3-Methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-4-yl)prop-2-yn-1-ol
CID 44406521
Diphenyl(1-(4-(pyridin-4-yl)phenethyl)piperidin-4-yl)methanol
CID 118322590
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CID 118322594
(1-(2-(6-(Tert-butyl)pyridin-3-yl)ethyl)piperidin-4-yl)diphenylmethanol
CID 118322602
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CID 192779
4-Pyridinemethanol, alpha-phenyl-alpha-(2-phenylvinyl)-, (Z)-
CID 6446246
4-(2,6-Dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol
CID 14810551
[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methanol
CID 46889626
1,2-Diphenyl-1,2-di(3-pyridinyl)-1,2-ethanediol
CID 387101
4-(1-Hydroxy-1,2-diphenylethyl)pyridine
CID 21149833

Frequently Asked Questions

What is the IUPAC name of bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)?
The IUPAC name of bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol) (CID 139051364) is bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol).
What is the SMILES notation for bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)?
The canonical SMILES for bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol) is CC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccncc1.
What is the InChIKey of bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)?
The InChIKey is WLCHWTCPMWLFPC-MJRJXRGLSA-N. The full InChI is InChI=1S/4C21H21NO/c4*1-2-20(17-9-5-3-6-10-17)21(23,18-11-7-4-8-12-18)19-13-15-22-16-14-19/h4*3-16,20,23H,2H2,1H3/t4*20-,21+/m1100/s1.
What are the key properties of bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol)?
bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol) has a molecular weight of 1213.62 g/mol, XLogP of 18.05, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1R,2S)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);bis((1S,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol) is sourced from PubChem (CID 139051364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).