4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole

C236H150FN35 — CID 158179865

IUPAC4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole
SMILESCC(C)(C)c1c(-n2c3ccc(-c4cncnc4)cc3c3cc(-c4cncnc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3cncnc3)cc2c2cc(-c3cncnc3)ccc21.CC(C)(C)c1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.Fc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C86H52FN9.2C75H49N13/c87-81-82(92-71-31-7-1-21-57(71)58-22-2-8-32-72(58)92)84(95-77-41-37-53(67-27-13-17-45-88-67)49-63(77)64-50-54(38-42-78(64)95)68-28-14-18-46-89-68)86(94-75-35-11-5-25-61(75)62-26-6-12-36-76(62)94)85(83(81)93-73-33-9-3-23-59(73)60-24-4-10-34-74(60)93)96-79-43-39-55(69-29-15-19-47-90-69)51-65(79)66-52-56(40-44-80(66)96)70-30-16-20-48-91-70;1-75(2,3)66-69(87-62-28-24-45(71-77-32-12-33-78-71)40-53(62)54-41-46(25-29-63(54)87)72-79-34-13-35-80-72)67(85-58-20-8-4-16-49(58)50-17-5-9-21-59(50)85)57(44-76)68(86-60-22-10-6-18-51(60)52-19-7-11-23-61(52)86)70(66)88-64-30-26-47(73-81-36-14-37-82-73)42-55(64)56-43-48(27-31-65(56)88)74-83-38-15-39-84-74;1-75(2,3)70-73(87-66-24-20-45(49-33-77-41-78-34-49)28-57(66)58-29-46(21-25-67(58)87)50-35-79-42-80-36-50)71(85-62-16-8-4-12-53(62)54-13-5-9-17-63(54)85)61(32-76)72(86-64-18-10-6-14-55(64)56-15-7-11-19-65(56)86)74(70)88-68-26-22-47(51-37-81-43-82-38-51)30-59(68)60-31-48(23-27-69(60)88)52-39-83-44-84-40-52/h1-52H;4-43H,1-3H3;4-31,33-44H,1-3H3
InChIKeyFYLKYPDUOIUZFU-UHFFFAOYSA-N
MW3495.04 g/mol
LogP55.70
Rot. Bonds25

About 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole

4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole (PubChem CID 158179865) has the molecular formula C236H150FN35 and a molecular weight of 3495.04 g/mol. Its IUPAC name is 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole.

Molecular Properties

Compound Name4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole
PubChem CID158179865
Molecular FormulaC236H150FN35
Molecular Weight3495.04 g/mol
Exact Mass3492.28
IUPAC Name4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole
SMILESCC(C)(C)c1c(-n2c3ccc(-c4cncnc4)cc3c3cc(-c4cncnc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3cncnc3)cc2c2cc(-c3cncnc3)ccc21.CC(C)(C)c1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.Fc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C86H52FN9.2C75H49N13/c87-81-82(92-71-31-7-1-21-57(71)58-22-2-8-32-72(58)92)84(95-77-41-37-53(67-27-13-17-45-88-67)49-63(77)64-50-54(38-42-78(64)95)68-28-14-18-46-89-68)86(94-75-35-11-5-25-61(75)62-26-6-12-36-76(62)94)85(83(81)93-73-33-9-3-23-59(73)60-24-4-10-34-74(60)93)96-79-43-39-55(69-29-15-19-47-90-69)51-65(79)66-52-56(40-44-80(66)96)70-30-16-20-48-91-70;1-75(2,3)66-69(87-62-28-24-45(71-77-32-12-33-78-71)40-53(62)54-41-46(25-29-63(54)87)72-79-34-13-35-80-72)67(85-58-20-8-4-16-49(58)50-17-5-9-21-59(50)85)57(44-76)68(86-60-22-10-6-18-51(60)52-19-7-11-23-61(52)86)70(66)88-64-30-26-47(73-81-36-14-37-82-73)42-55(64)56-43-48(27-31-65(56)88)74-83-38-15-39-84-74;1-75(2,3)70-73(87-66-24-20-45(49-33-77-41-78-34-49)28-57(66)58-29-46(21-25-67(58)87)50-35-79-42-80-36-50)71(85-62-16-8-4-12-53(62)54-13-5-9-17-63(54)85)61(32-76)72(86-64-18-10-6-14-55(64)56-15-7-11-19-65(56)86)74(70)88-68-26-22-47(51-37-81-43-82-38-51)30-59(68)60-31-48(23-27-69(60)88)52-39-83-44-84-40-52/h1-52H;4-43H,1-3H3;4-31,33-44H,1-3H3
InChIKeyFYLKYPDUOIUZFU-UHFFFAOYSA-N
XLogP55.70
TPSA369.47 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003495.04
LogP ≤ 555.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-tert-butyl-4,6-di(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]-3,6-dipyridin-2-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-fluoro-6-propan-2-ylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-3-fluoro-6-propan-2-ylphenyl]-3,6-di(pyrimidin-5-yl)carbazole
CID 161411646
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146530819
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2,4,5,6-tetrapyridin-2-ylbenzonitrile
CID 140966629
2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
4-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146982199
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
3-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 154959875
2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-pyrido[3,2-b]indol-5-ylphenyl)benzonitrile
CID 139507241
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole?
The IUPAC name of 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole (CID 158179865) is 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole.
What is the SMILES notation for 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole?
The canonical SMILES for 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole is CC(C)(C)c1c(-n2c3ccc(-c4cncnc4)cc3c3cc(-c4cncnc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3cncnc3)cc2c2cc(-c3cncnc3)ccc21.CC(C)(C)c1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.Fc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole?
The InChIKey is FYLKYPDUOIUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52FN9.2C75H49N13/c87-81-82(92-71-31-7-1-21-57(71)58-22-2-8-32-72(58)92)84(95-77-41-37-53(67-27-13-17-45-88-67)49-63(77)64-50-54(38-42-78(64)95)68-28-14-18-46-89-68)86(94-75-35-11-5-25-61(75)62-26-6-12-36-76(62)94)85(83(81)93-73-33-9-3-23-59(73)60-24-4-10-34-74(60)93)96-79-43-39-55(69-29-15-19-47-90-69)51-65(79)66-52-56(40-44-80(66)96)70-30-16-20-48-91-70;1-75(2,3)66-69(87-62-28-24-45(71-77-32-12-33-78-71)40-53(62)54-41-46(25-29-63(54)87)72-79-34-13-35-80-72)67(85-58-20-8-4-16-49(58)50-17-5-9-21-59(50)85)57(44-76)68(86-60-22-10-6-18-51(60)52-19-7-11-23-61(52)86)70(66)88-64-30-26-47(73-81-36-14-37-82-73)42-55(64)56-43-48(27-31-65(56)88)74-83-38-15-39-84-74;1-75(2,3)70-73(87-66-24-20-45(49-33-77-41-78-34-49)28-57(66)58-29-46(21-25-67(58)87)50-35-79-42-80-36-50)71(85-62-16-8-4-12-53(62)54-13-5-9-17-63(54)85)61(32-76)72(86-64-18-10-6-14-55(64)56-15-7-11-19-65(56)86)74(70)88-68-26-22-47(51-37-81-43-82-38-51)30-59(68)60-31-48(23-27-69(60)88)52-39-83-44-84-40-52/h1-52H;4-43H,1-3H3;4-31,33-44H,1-3H3.
What are the key properties of 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole?
4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole has a molecular weight of 3495.04 g/mol, XLogP of 55.70, 25 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile;4-tert-butyl-2,6-di(carbazol-9-yl)-3,5-bis[3,6-di(pyrimidin-5-yl)carbazol-9-yl]benzonitrile;3,6-dipyridin-2-yl-9-[2,4,6-tri(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]carbazole is sourced from PubChem (CID 158179865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).