2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol

C35H34N2O — CID 138965125

IUPAC2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol
SMILESCc1cc(C)c(N[C@H](c2ccccc2)[C@H](Nc2ccccc2-c2ccccc2O)c2ccccc2)c(C)c1
InChIInChI=1S/C35H34N2O/c1-24-22-25(2)33(26(3)23-24)37-35(28-16-8-5-9-17-28)34(27-14-6-4-7-15-27)36-31-20-12-10-18-29(31)30-19-11-13-21-32(30)38/h4-23,34-38H,1-3H3/t34-,35-/m1/s1
InChIKeyZXUXHSKNOIFFKH-VSJLXWSYSA-N
MW498.67 g/mol
LogP8.99
Rot. Bonds8

About 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol

2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol (PubChem CID 138965125) has the molecular formula C35H34N2O and a molecular weight of 498.67 g/mol. Its IUPAC name is 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol.

Molecular Properties

Compound Name2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol
PubChem CID138965125
Molecular FormulaC35H34N2O
Molecular Weight498.67 g/mol
Exact Mass498.27
IUPAC Name2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol
SMILESCc1cc(C)c(N[C@H](c2ccccc2)[C@H](Nc2ccccc2-c2ccccc2O)c2ccccc2)c(C)c1
InChIInChI=1S/C35H34N2O/c1-24-22-25(2)33(26(3)23-24)37-35(28-16-8-5-9-17-28)34(27-14-6-4-7-15-27)36-31-20-12-10-18-29(31)30-19-11-13-21-32(30)38/h4-23,34-38H,1-3H3/t34-,35-/m1/s1
InChIKeyZXUXHSKNOIFFKH-VSJLXWSYSA-N
XLogP8.99
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 58.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol?
The IUPAC name of 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol (CID 138965125) is 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol.
What is the SMILES notation for 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol?
The canonical SMILES for 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol is Cc1cc(C)c(N[C@H](c2ccccc2)[C@H](Nc2ccccc2-c2ccccc2O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol?
The InChIKey is ZXUXHSKNOIFFKH-VSJLXWSYSA-N. The full InChI is InChI=1S/C35H34N2O/c1-24-22-25(2)33(26(3)23-24)37-35(28-16-8-5-9-17-28)34(27-14-6-4-7-15-27)36-31-20-12-10-18-29(31)30-19-11-13-21-32(30)38/h4-23,34-38H,1-3H3/t34-,35-/m1/s1.
What are the key properties of 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol?
2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol has a molecular weight of 498.67 g/mol, XLogP of 8.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2R)-1,2-diphenyl-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]phenol is sourced from PubChem (CID 138965125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).