1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole

C173H119N13S6 — CID 157172613

IUPAC1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole
SMILESc1ccc(-c2cnn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ncn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nn(-c3ccccc3)cc2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nnn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2sc(-c3cnn(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2sc(-c3ncn(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/5C29H20N2S.C28H19N3S/c1-4-12-21(13-5-1)27-26(30-20-31(27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-27(31(20-30-26)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)27-26(20-31(30-27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)27-26(20-30-31(27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-30-31(23-16-8-3-9-17-23)27(26)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-20(13-5-1)25-26(31(30-29-25)22-16-8-3-9-17-22)28-24-19-11-10-18-23(24)27(32-28)21-14-6-2-7-15-21/h5*1-20H;1-19H
InChIKeyANQLYMPJYFSBPJ-UHFFFAOYSA-N
MW2572.35 g/mol
LogP47.92
Rot. Bonds24

About 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole

1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole (PubChem CID 157172613) has the molecular formula C173H119N13S6 and a molecular weight of 2572.35 g/mol. Its IUPAC name is 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole.

Molecular Properties

Compound Name1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole
PubChem CID157172613
Molecular FormulaC173H119N13S6
Molecular Weight2572.35 g/mol
Exact Mass2569.80
IUPAC Name1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole
SMILESc1ccc(-c2cnn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ncn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nn(-c3ccccc3)cc2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nnn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2sc(-c3cnn(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2sc(-c3ncn(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/5C29H20N2S.C28H19N3S/c1-4-12-21(13-5-1)27-26(30-20-31(27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-27(31(20-30-26)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)27-26(20-31(30-27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)27-26(20-30-31(27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-30-31(23-16-8-3-9-17-23)27(26)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-20(13-5-1)25-26(31(30-29-25)22-16-8-3-9-17-22)28-24-19-11-10-18-23(24)27(32-28)21-14-6-2-7-15-21/h5*1-20H;1-19H
InChIKeyANQLYMPJYFSBPJ-UHFFFAOYSA-N
XLogP47.92
TPSA119.81 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002572.35
LogP ≤ 547.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole with MolForge

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Related Compounds

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CID 69157383
N-[[3-[5-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-fluorophenyl]thiophen-2-yl]-1-phenylpyrazol-4-yl]methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 129301513
2-Methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole
CID 157492570
2-Deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole
CID 158962523
N,N-dimethyl-4-[4-[3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]aniline
CID 22031485
N,N-dimethyl-1-[4-[4-[3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]phenyl]methanamine
CID 22031834
4-[4-[3-[5-[[(2R)-2-isocyanopyrrolidin-1-yl]methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]benzonitrile
CID 58665969
CID 59358477
CID 59358477
4-[4-[3-[5-(Pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]benzonitrile
CID 68812196
3-(5-Butylsulfanylthiophen-2-yl)-6-(3-methyl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 90806445
(2s)-1-[(5-{6-[3-(4-Cyanophenyl)-1-trityl-1h-4-pyrazolyl]imidazo[1,2-a]pyridin-3-yl}-2-thienyl)methyl]-tetrahydro-1h-2-pyrrole carbonitrile
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1-[[5-[6-[3-(4-Cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile
CID 139997603

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole?
The IUPAC name of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole (CID 157172613) is 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole.
What is the SMILES notation for 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole?
The canonical SMILES for 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole is c1ccc(-c2cnn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ncn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nn(-c3ccccc3)cc2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nnn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2sc(-c3cnn(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2sc(-c3ncn(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole?
The InChIKey is ANQLYMPJYFSBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C29H20N2S.C28H19N3S/c1-4-12-21(13-5-1)27-26(30-20-31(27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-27(31(20-30-26)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)27-26(20-31(30-27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)27-26(20-30-31(27)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-30-31(23-16-8-3-9-17-23)27(26)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22;1-4-12-20(13-5-1)25-26(31(30-29-25)22-16-8-3-9-17-22)28-24-19-11-10-18-23(24)27(32-28)21-14-6-2-7-15-21/h5*1-20H;1-19H.
What are the key properties of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole?
1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole has a molecular weight of 2572.35 g/mol, XLogP of 47.92, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole is sourced from PubChem (CID 157172613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).