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

C217H125N7S8 — CID 158306955

IUPAC4-[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
SMILESN#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2-c2ccccc2)c(-c2ccccc2)c1.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cccc(-c2ccccc2)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cccc(-c2ccccc2C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C57H31N3S2.C56H32N2S2.C55H33NS2.C49H29NS2/c58-32-38-14-4-6-16-42(38)50-28-40(35-12-2-1-3-13-35)29-51(43-17-7-5-15-39(43)33-59)57(50)41-30-46(36-22-24-55-48(26-36)44-18-8-10-20-53(44)61-55)52(34-60)47(31-41)37-23-25-56-49(27-37)45-19-9-11-21-54(45)62-56;57-33-38-15-4-6-17-41(38)45-21-12-22-46(42-18-7-5-16-39(42)34-58)56(45)40-31-47(36-25-27-53-49(29-36)43-19-8-10-23-51(43)59-53)55(35-13-2-1-3-14-35)48(32-40)37-26-28-54-50(30-37)44-20-9-11-24-52(44)60-54;56-34-39-18-7-8-19-41(39)45-23-13-22-42(35-14-3-1-4-15-35)55(45)40-32-46(37-26-28-52-48(30-37)43-20-9-11-24-50(43)57-52)54(36-16-5-2-6-17-36)47(33-40)38-27-29-53-49(31-38)44-21-10-12-25-51(44)58-53;50-30-31-19-22-37(40(25-31)32-11-3-1-4-12-32)44-29-36(34-20-23-47-42(26-34)38-15-7-9-17-45(38)51-47)28-41(49(44)33-13-5-2-6-14-33)35-21-24-48-43(27-35)39-16-8-10-18-46(39)52-48/h1-31H;1-32H;1-33H;1-29H
InChIKeyGNESYKCBHFFNDL-UHFFFAOYSA-N
MW3086.97 g/mol
LogP63.13
Rot. Bonds23

About 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

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 (PubChem CID 158306955) has the molecular formula C217H125N7S8 and a molecular weight of 3086.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158306955
Molecular FormulaC217H125N7S8
Molecular Weight3086.97 g/mol
Exact Mass3083.78
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2-c2ccccc2)c(-c2ccccc2)c1.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cccc(-c2ccccc2)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cccc(-c2ccccc2C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C57H31N3S2.C56H32N2S2.C55H33NS2.C49H29NS2/c58-32-38-14-4-6-16-42(38)50-28-40(35-12-2-1-3-13-35)29-51(43-17-7-5-15-39(43)33-59)57(50)41-30-46(36-22-24-55-48(26-36)44-18-8-10-20-53(44)61-55)52(34-60)47(31-41)37-23-25-56-49(27-37)45-19-9-11-21-54(45)62-56;57-33-38-15-4-6-17-41(38)45-21-12-22-46(42-18-7-5-16-39(42)34-58)56(45)40-31-47(36-25-27-53-49(29-36)43-19-8-10-23-51(43)59-53)55(35-13-2-1-3-14-35)48(32-40)37-26-28-54-50(30-37)44-20-9-11-24-52(44)60-54;56-34-39-18-7-8-19-41(39)45-23-13-22-42(35-14-3-1-4-15-35)55(45)40-32-46(37-26-28-52-48(30-37)43-20-9-11-24-50(43)57-52)54(36-16-5-2-6-17-36)47(33-40)38-27-29-53-49(31-38)44-21-10-12-25-51(44)58-53;50-30-31-19-22-37(40(25-31)32-11-3-1-4-12-32)44-29-36(34-20-23-47-42(26-34)38-15-7-9-17-45(38)51-47)28-41(49(44)33-13-5-2-6-14-33)35-21-24-48-43(27-35)39-16-8-10-18-46(39)52-48/h1-31H;1-32H;1-33H;1-29H
InChIKeyGNESYKCBHFFNDL-UHFFFAOYSA-N
XLogP63.13
TPSA166.53 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003086.97
LogP ≤ 563.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]benzonitrile
CID 156567011
2-[2-cyano-3,5-di(dibenzothiophen-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146355381
2-[4-[2,6-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
CID 146354860
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
8-[3-(8-cyanodibenzothiophen-2-yl)-5-(2-cyano-4-phenylphenyl)phenyl]dibenzothiophene-2-carbonitrile;5-(2-cyanophenyl)-2-[3,5-di(dibenzothiophen-2-yl)phenyl]benzene-1,3-dicarbonitrile;8-[3-(2-cyano-4-phenylphenyl)-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile;2-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 161314706
2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 146354939
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
8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354620
8-[3-[3-cyano-4-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354830
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
2-[4-cyano-3,5-di(dibenzothiophen-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146355370
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-2-ylbenzonitrile
CID 146354116

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2-c2ccccc2)c(-c2ccccc2)c1.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cccc(-c2ccccc2)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cccc(-c2ccccc2C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 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?
The InChIKey is GNESYKCBHFFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31N3S2.C56H32N2S2.C55H33NS2.C49H29NS2/c58-32-38-14-4-6-16-42(38)50-28-40(35-12-2-1-3-13-35)29-51(43-17-7-5-15-39(43)33-59)57(50)41-30-46(36-22-24-55-48(26-36)44-18-8-10-20-53(44)61-55)52(34-60)47(31-41)37-23-25-56-49(27-37)45-19-9-11-21-54(45)62-56;57-33-38-15-4-6-17-41(38)45-21-12-22-46(42-18-7-5-16-39(42)34-58)56(45)40-31-47(36-25-27-53-49(29-36)43-19-8-10-23-51(43)59-53)55(35-13-2-1-3-14-35)48(32-40)37-26-28-54-50(30-37)44-20-9-11-24-52(44)60-54;56-34-39-18-7-8-19-41(39)45-23-13-22-42(35-14-3-1-4-15-35)55(45)40-32-46(37-26-28-52-48(30-37)43-20-9-11-24-50(43)57-52)54(36-16-5-2-6-17-36)47(33-40)38-27-29-53-49(31-38)44-21-10-12-25-51(44)58-53;50-30-31-19-22-37(40(25-31)32-11-3-1-4-12-32)44-29-36(34-20-23-47-42(26-34)38-15-7-9-17-45(38)51-47)28-41(49(44)33-13-5-2-6-14-33)35-21-24-48-43(27-35)39-16-8-10-18-46(39)52-48/h1-31H;1-32H;1-33H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 3086.97 g/mol, XLogP of 63.13, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158306955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).