[(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]ethyl]azanium

C48H48N13+ — CID 46175144

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]ethyl]azanium
SMILESC[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](Cc4ccccc4)n4cc([C@@H]([NH3+])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/p+1/t35-,41+,46+,47+,48+/m1/s1
InChIKeyBZKPTTFMASMBMK-OBRFKISKSA-O
MW807.00 g/mol
LogP6.68
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]ethyl]azanium

[(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]ethyl]azanium (PubChem CID 46175144) has the molecular formula C48H48N13+ and a molecular weight of 807.00 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]ethyl]azanium.

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]ethyl]azanium
PubChem CID46175144
Molecular FormulaC48H48N13+
Molecular Weight807.00 g/mol
Exact Mass806.42
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]ethyl]azanium
SMILESC[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](Cc4ccccc4)n4cc([C@@H]([NH3+])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/p+1/t35-,41+,46+,47+,48+/m1/s1
InChIKeyBZKPTTFMASMBMK-OBRFKISKSA-O
XLogP6.68
TPSA150.48 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.00
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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]ethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

1-[1-(naphthalen-1-ylmethyl)triazol-4-yl]-N,N-bis[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methyl]methanamine
CID 71741201
1-[1-(naphthalen-2-ylmethyl)triazol-4-yl]-N,N-bis[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methyl]methanamine
CID 71741202
1-[1-[(4-phenylphenyl)methyl]triazol-4-yl]-N,N-bis[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methyl]methanamine
CID 71741203
Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 11203363
2-[4-[2-[4-(2-phenylethyl)triazol-1-yl]ethyl]triazol-1-yl]-N-[4-[[2-[4-[2-[4-(2-phenylethyl)triazol-1-yl]ethyl]triazol-1-yl]acetyl]amino]phenyl]acetamide
CID 168286300
(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]propan-1-amine
CID 45483275
3,5-bis(1-benzyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 121225852
CID 45483270
CID 45483270
1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]propyl]-4-phenethyl-triazole
CID 45483271
CID 45483272
CID 45483272
(2S)-2-[4-[(1S)-1-[4-[(1S)-1-[4-[(1S)-1-[4-[(1S)-1-amino-2-phenylethyl]triazol-1-yl]-2-phenylethyl]triazol-1-yl]-2-phenylethyl]triazol-1-yl]-2-phenylethyl]triazol-1-yl]-N-methyl-3-phenylpropanamide
CID 45483273
CID 45483274
CID 45483274

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]ethyl]azanium?
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]ethyl]azanium (CID 46175144) 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]ethyl]azanium.
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]ethyl]azanium?
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]ethyl]azanium is C[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](Cc4ccccc4)n4cc([C@@H]([NH3+])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]ethyl]azanium?
The InChIKey is BZKPTTFMASMBMK-OBRFKISKSA-O. 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/p+1/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]ethyl]azanium?
[(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]ethyl]azanium has a molecular weight of 807.00 g/mol, XLogP of 6.68, 17 rotatable bonds, 1 hydrogen bond donors, and 12 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]ethyl]azanium is sourced from PubChem (CID 46175144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).