2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile

C172H100N4S8 — CID 159314364

IUPAC2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-c3cccc4sc5ccccc5c34)ccc(-c3cccc4sc5ccccc5c34)c2-c2ccccc2)c1.N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)ccc1-c1ccc2c(c1)sc1ccccc12.N#Cc1ccccc1-c1cc(-c2cccc3sc4ccccc4c23)c(-c2ccccc2)cc1-c1cccc2sc3ccccc3c12.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3cccc4sc5ccccc5c34)ccc2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C49H29NS2.2C43H25NS2.C37H21NS2/c50-30-33-14-4-5-15-37(33)35-26-34(31-12-2-1-3-13-31)27-36(28-35)43-29-32(38-18-10-22-46-48(38)41-16-6-8-20-44(41)51-46)24-25-39(43)40-19-11-23-47-49(40)42-17-7-9-21-45(42)52-47;44-26-27-11-8-14-29(25-27)41-33(31-18-10-22-39-43(31)35-16-5-7-20-37(35)46-39)24-23-32(40(41)28-12-2-1-3-13-28)30-17-9-21-38-42(30)34-15-4-6-19-36(34)45-38;44-26-28-14-4-5-15-29(28)35-25-36(30-18-10-22-40-42(30)32-16-6-8-20-38(32)45-40)34(27-12-2-1-3-13-27)24-37(35)31-19-11-23-41-43(31)33-17-7-9-21-39(33)46-41;38-22-26-7-1-2-8-27(26)32-19-23(24-15-18-36-33(20-24)30-10-4-6-12-35(30)39-36)13-16-28(32)25-14-17-31-29-9-3-5-11-34(29)40-37(31)21-25/h1-29H;2*1-25H;1-21H
InChIKeyLCYGZQUUNIZSJU-UHFFFAOYSA-N
MW2479.26 g/mol
LogP51.85
Rot. Bonds16

About 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile

2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile (PubChem CID 159314364) has the molecular formula C172H100N4S8 and a molecular weight of 2479.26 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile.

Molecular Properties

Compound Name2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile
PubChem CID159314364
Molecular FormulaC172H100N4S8
Molecular Weight2479.26 g/mol
Exact Mass2476.57
IUPAC Name2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-c3cccc4sc5ccccc5c34)ccc(-c3cccc4sc5ccccc5c34)c2-c2ccccc2)c1.N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)ccc1-c1ccc2c(c1)sc1ccccc12.N#Cc1ccccc1-c1cc(-c2cccc3sc4ccccc4c23)c(-c2ccccc2)cc1-c1cccc2sc3ccccc3c12.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3cccc4sc5ccccc5c34)ccc2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C49H29NS2.2C43H25NS2.C37H21NS2/c50-30-33-14-4-5-15-37(33)35-26-34(31-12-2-1-3-13-31)27-36(28-35)43-29-32(38-18-10-22-46-48(38)41-16-6-8-20-44(41)51-46)24-25-39(43)40-19-11-23-47-49(40)42-17-7-9-21-45(42)52-47;44-26-27-11-8-14-29(25-27)41-33(31-18-10-22-39-43(31)35-16-5-7-20-37(35)46-39)24-23-32(40(41)28-12-2-1-3-13-28)30-17-9-21-38-42(30)34-15-4-6-19-36(34)45-38;44-26-28-14-4-5-15-29(28)35-25-36(30-18-10-22-40-42(30)32-16-6-8-20-38(32)45-40)34(27-12-2-1-3-13-27)24-37(35)31-19-11-23-41-43(31)33-17-7-9-21-39(33)46-41;38-22-26-7-1-2-8-27(26)32-19-23(24-15-18-36-33(20-24)30-10-4-6-12-35(30)39-36)13-16-28(32)25-14-17-31-29-9-3-5-11-34(29)40-37(31)21-25/h1-29H;2*1-25H;1-21H
InChIKeyLCYGZQUUNIZSJU-UHFFFAOYSA-N
XLogP51.85
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002479.26
LogP ≤ 551.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile with MolForge

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Related Compounds

2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 158600374
7-[3-(2-cyanophenyl)-4-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile;2-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 158907553
7-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzothiophene-2-carbonitrile;3-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)benzonitrile;2-[2-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)phenyl]benzonitrile;3-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 158029124
3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 146354114
2-[2-(5-dibenzothiophen-1-yl-2-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile
CID 146354847
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841
8-[4-(2-cyanophenyl)-2-dibenzothiophen-2-ylphenyl]dibenzofuran-2-carbonitrile;5-dibenzofuran-2-yl-4-dibenzothiophen-3-yl-2-phenylbenzonitrile;2-(4-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-2-phenylphenyl)benzonitrile;3-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 160866332
3-(3-dibenzothiophen-1-yl-5-dibenzothiophen-3-yl-4-phenylphenyl)benzonitrile
CID 146354032
3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146354103
2-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355471
4-[2,6-bis(2-cyanophenyl)-4-phenylphenyl]-2,6-di(dibenzothiophen-2-yl)benzonitrile;2-[3-(2-cyanophenyl)-2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]phenyl]benzonitrile;4-[3,5-di(dibenzothiophen-2-yl)-2-phenylphenyl]-3-phenylbenzonitrile;2-[2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]-3-phenylphenyl]benzonitrile
CID 158306955
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile?
The IUPAC name of 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile (CID 159314364) is 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile.
What is the SMILES notation for 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile?
The canonical SMILES for 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile is N#Cc1cccc(-c2c(-c3cccc4sc5ccccc5c34)ccc(-c3cccc4sc5ccccc5c34)c2-c2ccccc2)c1.N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)ccc1-c1ccc2c(c1)sc1ccccc12.N#Cc1ccccc1-c1cc(-c2cccc3sc4ccccc4c23)c(-c2ccccc2)cc1-c1cccc2sc3ccccc3c12.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3cccc4sc5ccccc5c34)ccc2-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile?
The InChIKey is LCYGZQUUNIZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NS2.2C43H25NS2.C37H21NS2/c50-30-33-14-4-5-15-37(33)35-26-34(31-12-2-1-3-13-31)27-36(28-35)43-29-32(38-18-10-22-46-48(38)41-16-6-8-20-44(41)51-46)24-25-39(43)40-19-11-23-47-49(40)42-17-7-9-21-45(42)52-47;44-26-27-11-8-14-29(25-27)41-33(31-18-10-22-39-43(31)35-16-5-7-20-37(35)46-39)24-23-32(40(41)28-12-2-1-3-13-28)30-17-9-21-38-42(30)34-15-4-6-19-36(34)45-38;44-26-28-14-4-5-15-29(28)35-25-36(30-18-10-22-40-42(30)32-16-6-8-20-38(32)45-40)34(27-12-2-1-3-13-27)24-37(35)31-19-11-23-41-43(31)33-17-7-9-21-39(33)46-41;38-22-26-7-1-2-8-27(26)32-19-23(24-15-18-36-33(20-24)30-10-4-6-12-35(30)39-36)13-16-28(32)25-14-17-31-29-9-3-5-11-34(29)40-37(31)21-25/h1-29H;2*1-25H;1-21H.
What are the key properties of 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile?
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile has a molecular weight of 2479.26 g/mol, XLogP of 51.85, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile is sourced from PubChem (CID 159314364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).