4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile

C244H132N16S8 — CID 164970376

IUPAC4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccc3ccccc3c2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2ccc3ccccc3c2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.N#Cc1c(-c2cccc(-c3ccccc3)c2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2cccc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c(-c2ccccc2)c1-n1c2ccccc2c2cc3sc4ccccc4c3cc21.N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2ccccc2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C68H38N4S2.C64H34N4S2.2C56H30N4S2/c69-39-53-61(45-23-15-21-43(37-45)41-17-3-1-4-18-41)54(40-70)68(72-56-30-12-8-26-48(56)50-34-36-60-64(66(50)72)52-28-10-14-32-58(52)74-60)62(46-24-16-22-44(38-46)42-19-5-2-6-20-42)67(53)71-55-29-11-7-25-47(55)49-33-35-59-63(65(49)71)51-27-9-13-31-57(51)73-59;65-35-49-57(41-27-25-37-13-1-3-15-39(37)33-41)50(36-66)64(68-52-22-10-6-18-44(52)46-30-32-56-60(62(46)68)48-20-8-12-24-54(48)70-56)58(42-28-26-38-14-2-4-16-40(38)34-42)63(49)67-51-21-9-5-17-43(51)45-29-31-55-59(61(45)67)47-19-7-11-23-53(47)69-55;57-31-43-53(33-15-3-1-4-16-33)44(32-58)56(60-46-24-12-8-20-36(46)40-30-52-42(28-48(40)60)38-22-10-14-26-50(38)62-52)54(34-17-5-2-6-18-34)55(43)59-45-23-11-7-19-35(45)39-29-51-41(27-47(39)59)37-21-9-13-25-49(37)61-51;57-31-41-49(33-15-3-1-4-16-33)42(32-58)56(60-44-24-12-8-20-36(44)38-28-30-48-52(54(38)60)40-22-10-14-26-46(40)62-48)50(34-17-5-2-6-18-34)55(41)59-43-23-11-7-19-35(43)37-27-29-47-51(53(37)59)39-21-9-13-25-45(39)61-47/h1-38H;1-34H;2*1-30H
InChIKeyDARPFBFDZXFXTQ-UHFFFAOYSA-N
MW3544.39 g/mol
LogP68.42
Rot. Bonds18

About 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile

4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile (PubChem CID 164970376) has the molecular formula C244H132N16S8 and a molecular weight of 3544.39 g/mol. Its IUPAC name is 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
PubChem CID164970376
Molecular FormulaC244H132N16S8
Molecular Weight3544.39 g/mol
Exact Mass3540.86
IUPAC Name4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccc3ccccc3c2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2ccc3ccccc3c2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.N#Cc1c(-c2cccc(-c3ccccc3)c2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2cccc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c(-c2ccccc2)c1-n1c2ccccc2c2cc3sc4ccccc4c3cc21.N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2ccccc2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C68H38N4S2.C64H34N4S2.2C56H30N4S2/c69-39-53-61(45-23-15-21-43(37-45)41-17-3-1-4-18-41)54(40-70)68(72-56-30-12-8-26-48(56)50-34-36-60-64(66(50)72)52-28-10-14-32-58(52)74-60)62(46-24-16-22-44(38-46)42-19-5-2-6-20-42)67(53)71-55-29-11-7-25-47(55)49-33-35-59-63(65(49)71)51-27-9-13-31-57(51)73-59;65-35-49-57(41-27-25-37-13-1-3-15-39(37)33-41)50(36-66)64(68-52-22-10-6-18-44(52)46-30-32-56-60(62(46)68)48-20-8-12-24-54(48)70-56)58(42-28-26-38-14-2-4-16-40(38)34-42)63(49)67-51-21-9-5-17-43(51)45-29-31-55-59(61(45)67)47-19-7-11-23-53(47)69-55;57-31-43-53(33-15-3-1-4-16-33)44(32-58)56(60-46-24-12-8-20-36(46)40-30-52-42(28-48(40)60)38-22-10-14-26-50(38)62-52)54(34-17-5-2-6-18-34)55(43)59-45-23-11-7-19-35(45)39-29-51-41(27-47(39)59)37-21-9-13-25-49(37)61-51;57-31-41-49(33-15-3-1-4-16-33)42(32-58)56(60-44-24-12-8-20-36(44)38-28-30-48-52(54(38)60)40-22-10-14-26-46(40)62-48)50(34-17-5-2-6-18-34)55(41)59-43-23-11-7-19-35(43)37-27-29-47-51(53(37)59)39-21-9-13-25-45(39)61-47/h1-38H;1-34H;2*1-30H
InChIKeyDARPFBFDZXFXTQ-UHFFFAOYSA-N
XLogP68.42
TPSA229.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003544.39
LogP ≤ 568.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2,6-di(carbazol-9-yl)-4-phenyl-3,5-bis(9-phenyl-[1]benzothiolo[3,2-a]carbazol-12-yl)benzonitrile
CID 170001445
2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,5-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile
CID 158184322
4,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-2,5-di(dibenzothiophen-3-yl)benzene-1,3-dicarbonitrile
CID 167209021
4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(2-phenylcarbazol-9-yl)benzonitrile
CID 139368530
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-diphenyl-5-(1-phenyl-[1]benzothiolo[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 164819711
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-diphenyl-5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,4-dicarbonitrile
CID 166057067
4,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2,5-di(dibenzothiophen-3-yl)benzene-1,3-dicarbonitrile
CID 164819589
2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4,6-di(carbazol-9-yl)-5-dibenzofuran-2-ylbenzene-1,3-dicarbonitrile
CID 146562148
2-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-1,3-dicarbonitrile
CID 146563528
2,3,5-tri(carbazol-9-yl)-6-[2-(3-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 166566938
4,6-di(carbazol-9-yl)-2-(3-cyanocarbazol-9-yl)-5-dibenzothiophen-2-ylbenzene-1,3-dicarbonitrile
CID 146562049
2,6-di(carbazol-9-yl)-4-phenyl-3,5-bis(9-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170001442

Frequently Asked Questions

What is the IUPAC name of 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile (CID 164970376) is 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccc3ccccc3c2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2ccc3ccccc3c2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.N#Cc1c(-c2cccc(-c3ccccc3)c2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2cccc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c(-c2ccccc2)c1-n1c2ccccc2c2cc3sc4ccccc4c3cc21.N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-c2ccccc2)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile?
The InChIKey is DARPFBFDZXFXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N4S2.C64H34N4S2.2C56H30N4S2/c69-39-53-61(45-23-15-21-43(37-45)41-17-3-1-4-18-41)54(40-70)68(72-56-30-12-8-26-48(56)50-34-36-60-64(66(50)72)52-28-10-14-32-58(52)74-60)62(46-24-16-22-44(38-46)42-19-5-2-6-20-42)67(53)71-55-29-11-7-25-47(55)49-33-35-59-63(65(49)71)51-27-9-13-31-57(51)73-59;65-35-49-57(41-27-25-37-13-1-3-15-39(37)33-41)50(36-66)64(68-52-22-10-6-18-44(52)46-30-32-56-60(62(46)68)48-20-8-12-24-54(48)70-56)58(42-28-26-38-14-2-4-16-40(38)34-42)63(49)67-51-21-9-5-17-43(51)45-29-31-55-59(61(45)67)47-19-7-11-23-53(47)69-55;57-31-43-53(33-15-3-1-4-16-33)44(32-58)56(60-46-24-12-8-20-36(46)40-30-52-42(28-48(40)60)38-22-10-14-26-50(38)62-52)54(34-17-5-2-6-18-34)55(43)59-45-23-11-7-19-35(45)39-29-51-41(27-47(39)59)37-21-9-13-25-49(37)61-51;57-31-41-49(33-15-3-1-4-16-33)42(32-58)56(60-44-24-12-8-20-36(44)38-28-30-48-52(54(38)60)40-22-10-14-26-46(40)62-48)50(34-17-5-2-6-18-34)55(41)59-43-23-11-7-19-35(43)37-27-29-47-51(53(37)59)39-21-9-13-25-45(39)61-47/h1-38H;1-34H;2*1-30H.
What are the key properties of 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile?
4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile has a molecular weight of 3544.39 g/mol, XLogP of 68.42, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-bis(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dinaphthalen-2-ylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 164970376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).