[(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol

C60H63N3O3 — CID 134865722

IUPAC[(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H63N3O3/c64-58(49-22-7-1-8-23-49,50-24-9-2-10-25-50)55-34-19-37-61(55)43-46-40-47(44-62-38-20-35-56(62)59(65,51-26-11-3-12-27-51)52-28-13-4-14-29-52)42-48(41-46)45-63-39-21-36-57(63)60(66,53-30-15-5-16-31-53)54-32-17-6-18-33-54/h1-18,22-33,40-42,55-57,64-66H,19-21,34-39,43-45H2/t55-,56-,57-/m0/s1
InChIKeyIEFSKUKZAAJNOC-BSNUEQINSA-N
MW874.18 g/mol
LogP10.39
Rot. Bonds15

About [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol

[(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol (PubChem CID 134865722) has the molecular formula C60H63N3O3 and a molecular weight of 874.18 g/mol. Its IUPAC name is [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol
PubChem CID134865722
Molecular FormulaC60H63N3O3
Molecular Weight874.18 g/mol
Exact Mass873.49
IUPAC Name[(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H63N3O3/c64-58(49-22-7-1-8-23-49,50-24-9-2-10-25-50)55-34-19-37-61(55)43-46-40-47(44-62-38-20-35-56(62)59(65,51-26-11-3-12-27-51)52-28-13-4-14-29-52)42-48(41-46)45-63-39-21-36-57(63)60(66,53-30-15-5-16-31-53)54-32-17-6-18-33-54/h1-18,22-33,40-42,55-57,64-66H,19-21,34-39,43-45H2/t55-,56-,57-/m0/s1
InChIKeyIEFSKUKZAAJNOC-BSNUEQINSA-N
XLogP10.39
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.18
LogP ≤ 510.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol with MolForge

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Related Compounds

(1-Benzylpyrrolidin-2-yl)diphenylmethanol
CID 204392
(S)-(1-Benzylpyrrolidin-2-yl)diphenylmethanol
CID 1260655
(1-Benzylpyrrolidin-2-yl)(diphenyl)methanol--hydrogen chloride (1/1)
CID 204391
Tisphosphoramide 1d
CID 139039342
(S,S)-(+)-2,6-Bis[2-(hydroxydiphenylmethyl)-1-pyrrolidinyl-methyl]-4-methylphenol
CID 11308810
2,6-bis[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol
CID 12189771
6-[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-2-[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol
CID 124577873
(R)-(1-Benzylpyrrolidin-2-yl)diphenylmethanol
CID 1260658
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol
CID 10748480
2,6-Bis[[(R)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl]methyl]-4-methylphenol
CID 11296650
2,6-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol;ethane;zinc
CID 11308809
2,6-bis[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethylphenol
CID 11331239

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol (CID 134865722) is [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol?
The InChIKey is IEFSKUKZAAJNOC-BSNUEQINSA-N. The full InChI is InChI=1S/C60H63N3O3/c64-58(49-22-7-1-8-23-49,50-24-9-2-10-25-50)55-34-19-37-61(55)43-46-40-47(44-62-38-20-35-56(62)59(65,51-26-11-3-12-27-51)52-28-13-4-14-29-52)42-48(41-46)45-63-39-21-36-57(63)60(66,53-30-15-5-16-31-53)54-32-17-6-18-33-54/h1-18,22-33,40-42,55-57,64-66H,19-21,34-39,43-45H2/t55-,56-,57-/m0/s1.
What are the key properties of [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol?
[(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol has a molecular weight of 874.18 g/mol, XLogP of 10.39, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3,5-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 134865722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).