(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol

C64H60N2O2 — CID 101260450

IUPAC(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol
SMILESOC[C@H](Cc1cccc(C[C@@H](CO)N(Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)c1)N(Cc1ccccc1-c1ccccc1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C64H60N2O2/c67-47-59(65(43-55-32-13-17-36-61(55)51-24-5-1-6-25-51)44-56-33-14-18-37-62(56)52-26-7-2-8-27-52)41-49-22-21-23-50(40-49)42-60(48-68)66(45-57-34-15-19-38-63(57)53-28-9-3-10-29-53)46-58-35-16-20-39-64(58)54-30-11-4-12-31-54/h1-40,59-60,67-68H,41-48H2/t59-,60-/m0/s1
InChIKeyJZWUAWBPRDQEAN-WBLNBYGBSA-N
MW889.20 g/mol
LogP13.57
Rot. Bonds20

About (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol

(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol (PubChem CID 101260450) has the molecular formula C64H60N2O2 and a molecular weight of 889.20 g/mol. Its IUPAC name is (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol
PubChem CID101260450
Molecular FormulaC64H60N2O2
Molecular Weight889.20 g/mol
Exact Mass888.47
IUPAC Name(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol
SMILESOC[C@H](Cc1cccc(C[C@@H](CO)N(Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)c1)N(Cc1ccccc1-c1ccccc1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C64H60N2O2/c67-47-59(65(43-55-32-13-17-36-61(55)51-24-5-1-6-25-51)44-56-33-14-18-37-62(56)52-26-7-2-8-27-52)41-49-22-21-23-50(40-49)42-60(48-68)66(45-57-34-15-19-38-63(57)53-28-9-3-10-29-53)46-58-35-16-20-39-64(58)54-30-11-4-12-31-54/h1-40,59-60,67-68H,41-48H2/t59-,60-/m0/s1
InChIKeyJZWUAWBPRDQEAN-WBLNBYGBSA-N
XLogP13.57
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.20
LogP ≤ 513.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol
CID 59468227
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
CID 66639453
3-[2-[(dibenzylamino)methyl]phenyl]benzoic acid
CID 68518808
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
(2R)-2-(dipropylamino)-3-phenylpropan-1-ol
CID 107861512
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
3-[benzyl-[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]propanenitrile
CID 170222607
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
2-[(2,4-dimethoxyphenyl)methyl-prop-2-enylamino]-3-phenylpropan-1-ol
CID 45100850

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol?
The IUPAC name of (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol (CID 101260450) is (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol.
What is the SMILES notation for (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol?
The canonical SMILES for (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol is OC[C@H](Cc1cccc(C[C@@H](CO)N(Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)c1)N(Cc1ccccc1-c1ccccc1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol?
The InChIKey is JZWUAWBPRDQEAN-WBLNBYGBSA-N. The full InChI is InChI=1S/C64H60N2O2/c67-47-59(65(43-55-32-13-17-36-61(55)51-24-5-1-6-25-51)44-56-33-14-18-37-62(56)52-26-7-2-8-27-52)41-49-22-21-23-50(40-49)42-60(48-68)66(45-57-34-15-19-38-63(57)53-28-9-3-10-29-53)46-58-35-16-20-39-64(58)54-30-11-4-12-31-54/h1-40,59-60,67-68H,41-48H2/t59-,60-/m0/s1.
What are the key properties of (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol?
(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol has a molecular weight of 889.20 g/mol, XLogP of 13.57, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol is sourced from PubChem (CID 101260450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).