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

C48H47N13 — CID 45483272

IUPAC(1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine
SMILESC[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](Cc4ccccc4)n4cc([C@@H](N)Cc5ccccc5)nn4)nn3)nn2)nn1
InChIInChI=1S/C48H47N13/c1-35(40-25-15-6-16-26-40)58-32-43(51-54-58)46(28-37-19-9-3-10-20-37)60-34-45(53-56-60)48(30-39-23-13-5-14-24-39)61-33-44(52-57-61)47(29-38-21-11-4-12-22-38)59-31-42(50-55-59)41(49)27-36-17-7-2-8-18-36/h2-26,31-35,41,46-48H,27-30,49H2,1H3/t35-,41+,46+,47+,48+/m1/s1
InChIKeyBZKPTTFMASMBMK-OBRFKISKSA-N
MW806.00 g/mol
LogP7.40
Rot. Bonds17

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

(1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine (PubChem CID 45483272) has the molecular formula C48H47N13 and a molecular weight of 806.00 g/mol. Its IUPAC name is (1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine
PubChem CID45483272
Molecular FormulaC48H47N13
Molecular Weight806.00 g/mol
Exact Mass805.41
IUPAC Name(1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine
SMILESC[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](Cc4ccccc4)n4cc([C@@H](N)Cc5ccccc5)nn4)nn3)nn2)nn1
InChIInChI=1S/C48H47N13/c1-35(40-25-15-6-16-26-40)58-32-43(51-54-58)46(28-37-19-9-3-10-20-37)60-34-45(53-56-60)48(30-39-23-13-5-14-24-39)61-33-44(52-57-61)47(29-38-21-11-4-12-22-38)59-31-42(50-55-59)41(49)27-36-17-7-2-8-18-36/h2-26,31-35,41,46-48H,27-30,49H2,1H3/t35-,41+,46+,47+,48+/m1/s1
InChIKeyBZKPTTFMASMBMK-OBRFKISKSA-N
XLogP7.40
TPSA148.86 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.00
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine?
The IUPAC name of (1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine (CID 45483272) is (1S)-2-phenyl-1-[1-[(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]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-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]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-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]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](Cc4ccccc4)n4cc([C@@H](N)Cc5ccccc5)nn4)nn3)nn2)nn1.
What is the InChIKey of (1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine?
The InChIKey is BZKPTTFMASMBMK-OBRFKISKSA-N. The full InChI is InChI=1S/C48H47N13/c1-35(40-25-15-6-16-26-40)58-32-43(51-54-58)46(28-37-19-9-3-10-20-37)60-34-45(53-56-60)48(30-39-23-13-5-14-24-39)61-33-44(52-57-61)47(29-38-21-11-4-12-22-38)59-31-42(50-55-59)41(49)27-36-17-7-2-8-18-36/h2-26,31-35,41,46-48H,27-30,49H2,1H3/t35-,41+,46+,47+,48+/m1/s1.
What are the key properties of (1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine?
(1S)-2-phenyl-1-[1-[(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]ethyl]triazol-4-yl]ethanamine has a molecular weight of 806.00 g/mol, XLogP of 7.40, 17 rotatable bonds, 1 hydrogen bond donors, and 13 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-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 45483272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).