1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol

C45H32O — CID 164675344

IUPAC1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C45H32O/c1-2-45(46,38-31-19-8-20-32-38)44-42(36-27-15-6-16-28-36)40(34-23-11-4-12-24-34)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)43(44)37-29-17-7-18-30-37/h1,3-32,46H
InChIKeyNQVOKZUKHKSUQT-UHFFFAOYSA-N
MW588.75 g/mol
LogP10.89
Rot. Bonds7

About 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol

1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol (PubChem CID 164675344) has the molecular formula C45H32O and a molecular weight of 588.75 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol
PubChem CID164675344
Molecular FormulaC45H32O
Molecular Weight588.75 g/mol
Exact Mass588.25
IUPAC Name1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C45H32O/c1-2-45(46,38-31-19-8-20-32-38)44-42(36-27-15-6-16-28-36)40(34-23-11-4-12-24-34)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)43(44)37-29-17-7-18-30-37/h1,3-32,46H
InChIKeyNQVOKZUKHKSUQT-UHFFFAOYSA-N
XLogP10.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 510.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 10757753
CID 10757753
1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
1,2,3-triethynyl-4,5,6-triphenylbenzene
CID 141148781
1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol
CID 86665810
1,1-diphenylbut-2-yn-1-ol
CID 569279
1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol
CID 20721534
1-(2-fluorophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
CID 102246639
1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)
CID 157294897
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
(1S)-1-(2-chlorophenyl)-3-[2,3,4,5,6-pentakis[(3S)-3-(2-chlorophenyl)-3-hydroxy-3-phenylprop-1-ynyl]phenyl]-1-phenylprop-2-yn-1-ol
CID 102063537
1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene
CID 90779931
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol?
The IUPAC name of 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol (CID 164675344) is 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol?
The InChIKey is NQVOKZUKHKSUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O/c1-2-45(46,38-31-19-8-20-32-38)44-42(36-27-15-6-16-28-36)40(34-23-11-4-12-24-34)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)43(44)37-29-17-7-18-30-37/h1,3-32,46H.
What are the key properties of 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol?
1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol has a molecular weight of 588.75 g/mol, XLogP of 10.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 164675344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).