(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine

C38H38N10 — CID 45483270

IUPAC(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine
SMILESC[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H](N)Cc4ccccc4)nn3)nn2)nn1
InChIInChI=1S/C38H38N10/c1-28(32-20-12-5-13-21-32)46-26-35(41-43-46)37(23-30-16-8-3-9-17-30)48-27-36(42-45-48)38(24-31-18-10-4-11-19-31)47-25-34(40-44-47)33(39)22-29-14-6-2-7-15-29/h2-21,25-28,33,37-38H,22-24,39H2,1H3/t28-,33+,37+,38+/m1/s1
InChIKeyTUCYWCJNVXTKPN-NLKOQUQSSA-N
MW634.79 g/mol
LogP5.98
Rot. Bonds13

About (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine

(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine (PubChem CID 45483270) has the molecular formula C38H38N10 and a molecular weight of 634.79 g/mol. Its IUPAC name is (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine
PubChem CID45483270
Molecular FormulaC38H38N10
Molecular Weight634.79 g/mol
Exact Mass634.33
IUPAC Name(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine
SMILESC[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H](N)Cc4ccccc4)nn3)nn2)nn1
InChIInChI=1S/C38H38N10/c1-28(32-20-12-5-13-21-32)46-26-35(41-43-46)37(23-30-16-8-3-9-17-30)48-27-36(42-45-48)38(24-31-18-10-4-11-19-31)47-25-34(40-44-47)33(39)22-29-14-6-2-7-15-29/h2-21,25-28,33,37-38H,22-24,39H2,1H3/t28-,33+,37+,38+/m1/s1
InChIKeyTUCYWCJNVXTKPN-NLKOQUQSSA-N
XLogP5.98
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.79
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine with MolForge

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Related Compounds

CID 71741201
CID 71741201
CID 71741202
CID 71741202
CID 71741203
CID 71741203
CID 11203363
CID 11203363
CID 16745959
CID 16745959
CID 45483275
CID 45483275
CID 121225852
CID 121225852
CID 45483271
CID 45483271
CID 45483272
CID 45483272
CID 45483273
CID 45483273
CID 45483274
CID 45483274
CID 45483276
CID 45483276

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine?
The IUPAC name of (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine (CID 45483270) is (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine is C[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H](N)Cc4ccccc4)nn3)nn2)nn1.
What is the InChIKey of (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine?
The InChIKey is TUCYWCJNVXTKPN-NLKOQUQSSA-N. The full InChI is InChI=1S/C38H38N10/c1-28(32-20-12-5-13-21-32)46-26-35(41-43-46)37(23-30-16-8-3-9-17-30)48-27-36(42-45-48)38(24-31-18-10-4-11-19-31)47-25-34(40-44-47)33(39)22-29-14-6-2-7-15-29/h2-21,25-28,33,37-38H,22-24,39H2,1H3/t28-,33+,37+,38+/m1/s1.
What are the key properties of (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine?
(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine has a molecular weight of 634.79 g/mol, XLogP of 5.98, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 45483270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).