2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile

C247H158N18 — CID 160585652

IUPAC2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile
SMILESCc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)c(C)c2)ccc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C84H56N6.C82H52N6.C81H50N6/c1-51-45-55(37-41-69(51)87-73-29-13-5-21-59(73)60-22-6-14-30-74(60)87)81-67(49-85)83(57-39-43-71(53(3)47-57)89-77-33-17-9-25-63(77)64-26-10-18-34-78(64)89)84(58-40-44-72(54(4)48-58)90-79-35-19-11-27-65(79)66-28-12-20-36-80(66)90)68(50-86)82(81)56-38-42-70(52(2)46-56)88-75-31-15-7-23-61(75)62-24-8-16-32-76(62)88;1-51-47-55(39-45-69(51)87-75-31-15-7-23-63(75)64-24-8-16-32-76(64)87)81-67(49-83)80(54-37-43-58(44-38-54)86-73-29-13-5-21-61(73)62-22-6-14-30-74(62)86)82(56-40-46-70(52(2)48-56)88-77-33-17-9-25-65(77)66-26-10-18-34-78(66)88)68(50-84)79(81)53-35-41-57(42-36-53)85-71-27-11-3-19-59(71)60-20-4-12-28-72(60)85;1-51-48-55(40-47-69(51)87-76-32-16-8-24-65(76)66-25-9-17-33-77(66)87)81-68(50-83)79(53-36-43-57(44-37-53)85-72-28-12-4-20-61(72)62-21-5-13-29-73(62)85)78(52-34-41-56(42-35-52)84-70-26-10-2-18-59(70)60-19-3-11-27-71(60)84)67(49-82)80(81)54-38-45-58(46-39-54)86-74-30-14-6-22-63(74)64-23-7-15-31-75(64)86/h5-48H,1-4H3;3-48H,1-2H3;2-48H,1H3
InChIKeyRCIWRABRNSZADL-UHFFFAOYSA-N
MW3378.11 g/mol
LogP63.62
Rot. Bonds24

About 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile

2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile (PubChem CID 160585652) has the molecular formula C247H158N18 and a molecular weight of 3378.11 g/mol. Its IUPAC name is 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile
PubChem CID160585652
Molecular FormulaC247H158N18
Molecular Weight3378.11 g/mol
Exact Mass3375.29
IUPAC Name2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile
SMILESCc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)c(C)c2)ccc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C84H56N6.C82H52N6.C81H50N6/c1-51-45-55(37-41-69(51)87-73-29-13-5-21-59(73)60-22-6-14-30-74(60)87)81-67(49-85)83(57-39-43-71(53(3)47-57)89-77-33-17-9-25-63(77)64-26-10-18-34-78(64)89)84(58-40-44-72(54(4)48-58)90-79-35-19-11-27-65(79)66-28-12-20-36-80(66)90)68(50-86)82(81)56-38-42-70(52(2)46-56)88-75-31-15-7-23-61(75)62-24-8-16-32-76(62)88;1-51-47-55(39-45-69(51)87-75-31-15-7-23-63(75)64-24-8-16-32-76(64)87)81-67(49-83)80(54-37-43-58(44-38-54)86-73-29-13-5-21-61(73)62-22-6-14-30-74(62)86)82(56-40-46-70(52(2)48-56)88-77-33-17-9-25-65(77)66-26-10-18-34-78(66)88)68(50-84)79(81)53-35-41-57(42-36-53)85-71-27-11-3-19-59(71)60-20-4-12-28-72(60)85;1-51-48-55(40-47-69(51)87-76-32-16-8-24-65(76)66-25-9-17-33-77(66)87)81-68(50-83)79(53-36-43-57(44-37-53)85-72-28-12-4-20-61(72)62-21-5-13-29-73(62)85)78(52-34-41-56(42-35-52)84-70-26-10-2-18-59(70)60-19-3-11-27-71(60)84)67(49-82)80(81)54-38-45-58(46-39-54)86-74-30-14-6-22-63(74)64-23-7-15-31-75(64)86/h5-48H,1-4H3;3-48H,1-2H3;2-48H,1H3
InChIKeyRCIWRABRNSZADL-UHFFFAOYSA-N
XLogP63.62
TPSA201.90 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003378.11
LogP ≤ 563.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59742225
2,4,6-tris(4-carbazol-9-ylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139441530
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306789
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
CID 146580324
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
CID 155080419
3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081553
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile (CID 160585652) is 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile is Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)c(C)c2)ccc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C#N)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile?
The InChIKey is RCIWRABRNSZADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N6.C82H52N6.C81H50N6/c1-51-45-55(37-41-69(51)87-73-29-13-5-21-59(73)60-22-6-14-30-74(60)87)81-67(49-85)83(57-39-43-71(53(3)47-57)89-77-33-17-9-25-63(77)64-26-10-18-34-78(64)89)84(58-40-44-72(54(4)48-58)90-79-35-19-11-27-65(79)66-28-12-20-36-80(66)90)68(50-86)82(81)56-38-42-70(52(2)46-56)88-75-31-15-7-23-61(75)62-24-8-16-32-76(62)88;1-51-47-55(39-45-69(51)87-75-31-15-7-23-63(75)64-24-8-16-32-76(64)87)81-67(49-83)80(54-37-43-58(44-38-54)86-73-29-13-5-21-61(73)62-22-6-14-30-74(62)86)82(56-40-46-70(52(2)48-56)88-77-33-17-9-25-65(77)66-26-10-18-34-78(66)88)68(50-84)79(81)53-35-41-57(42-36-53)85-71-27-11-3-19-59(71)60-20-4-12-28-72(60)85;1-51-48-55(40-47-69(51)87-76-32-16-8-24-65(76)66-25-9-17-33-77(66)87)81-68(50-83)79(53-36-43-57(44-37-53)85-72-28-12-4-20-61(72)62-21-5-13-29-73(62)85)78(52-34-41-56(42-35-52)84-70-26-10-2-18-59(70)60-19-3-11-27-71(60)84)67(49-82)80(81)54-38-45-58(46-39-54)86-74-30-14-6-22-63(74)64-23-7-15-31-75(64)86/h5-48H,1-4H3;3-48H,1-2H3;2-48H,1H3.
What are the key properties of 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile?
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile has a molecular weight of 3378.11 g/mol, XLogP of 63.62, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 160585652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).