(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine

C28H28N2 — CID 139888641

IUPAC(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
SMILESC[C@H]([C@@H](C)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m1/s1
InChIKeyHFQFWTHAYVYPNJ-DNQXCXABSA-N
MW392.55 g/mol
LogP7.44
Rot. Bonds7

About (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine

(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine (PubChem CID 139888641) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine.

Molecular Properties

Compound Name(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
PubChem CID139888641
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
SMILESC[C@H]([C@@H](C)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m1/s1
InChIKeyHFQFWTHAYVYPNJ-DNQXCXABSA-N
XLogP7.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
Solvent Yellow 56
CID 17204
Triphenylamine
CID 11775
Methyldiphenylamine
CID 11098
1,6-Bis(4-phenylpiperazin-1-yl)hexane
CID 11567667
Dimethylphenylpiperazinium
CID 1316
1-Phenyl-4-propylpiperazine
CID 422923
Piperazine, 1-methyl-4-phenyl-
CID 200991
Octyldiphenylamine
CID 66575
4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline
CID 5324144
1,4-Benzenediamine, N1,N1,N4,N4-tetraphenyl-
CID 84207

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine?
The IUPAC name of (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine (CID 139888641) is (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine.
What is the SMILES notation for (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine?
The canonical SMILES for (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine is C[C@H]([C@@H](C)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine?
The InChIKey is HFQFWTHAYVYPNJ-DNQXCXABSA-N. The full InChI is InChI=1S/C28H28N2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m1/s1.
What are the key properties of (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine?
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine has a molecular weight of 392.55 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine is sourced from PubChem (CID 139888641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).