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

C224H147F3N32 — CID 161411646

IUPAC9-[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
SMILESCC(C)(C)c1c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ccccn3)cc2c2cc(-c3ccccn3)ccc21.CC(C)c1c(-n2c3ccc(-c4cncnc4)cc3c3cc(-c4cncnc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3cncnc3)cc2c2cc(-c3cncnc3)ccc21.CC(C)c1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21
InChIInChI=1S/C78H53FN8.2C73H47FN12/c1-78(2,3)72-74(84-68-36-32-48(60-24-12-16-40-80-60)44-56(68)57-45-49(33-37-69(57)84)61-25-13-17-41-81-61)76(86-64-28-8-4-20-52(64)53-21-5-9-29-65(53)86)73(79)77(87-66-30-10-6-22-54(66)55-23-7-11-31-67(55)87)75(72)85-70-38-34-50(62-26-14-18-42-82-62)46-58(70)59-47-51(35-39-71(59)85)63-27-15-19-43-83-63;1-43(2)64-66(83-60-27-23-44(70-75-31-11-32-76-70)39-52(60)53-40-45(24-28-61(53)83)71-77-33-12-34-78-71)68(85-56-19-7-3-15-48(56)49-16-4-8-20-57(49)85)65(74)69(86-58-21-9-5-17-50(58)51-18-6-10-22-59(51)86)67(64)84-62-29-25-46(72-79-35-13-36-80-72)41-54(62)55-42-47(26-30-63(55)84)73-81-37-14-38-82-73;1-43(2)68-70(83-64-23-19-44(48-31-75-39-76-32-48)27-56(64)57-28-45(20-24-65(57)83)49-33-77-40-78-34-49)72(85-60-15-7-3-11-52(60)53-12-4-8-16-61(53)85)69(74)73(86-62-17-9-5-13-54(62)55-14-6-10-18-63(55)86)71(68)84-66-25-21-46(50-35-79-41-80-36-50)29-58(66)59-30-47(22-26-67(59)84)51-37-81-42-82-38-51/h4-47H,1-3H3;2*3-43H,1-2H3
InChIKeyVVNSXOLBVMBKFV-UHFFFAOYSA-N
MW3343.86 g/mol
LogP54.09
Rot. Bonds26

About 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

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 (PubChem CID 161411646) has the molecular formula C224H147F3N32 and a molecular weight of 3343.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID161411646
Molecular FormulaC224H147F3N32
Molecular Weight3343.86 g/mol
Exact Mass3341.24
IUPAC Name9-[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
SMILESCC(C)(C)c1c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ccccn3)cc2c2cc(-c3ccccn3)ccc21.CC(C)c1c(-n2c3ccc(-c4cncnc4)cc3c3cc(-c4cncnc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3cncnc3)cc2c2cc(-c3cncnc3)ccc21.CC(C)c1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21
InChIInChI=1S/C78H53FN8.2C73H47FN12/c1-78(2,3)72-74(84-68-36-32-48(60-24-12-16-40-80-60)44-56(68)57-45-49(33-37-69(57)84)61-25-13-17-41-81-61)76(86-64-28-8-4-20-52(64)53-21-5-9-29-65(53)86)73(79)77(87-66-30-10-6-22-54(66)55-23-7-11-31-67(55)87)75(72)85-70-38-34-50(62-26-14-18-42-82-62)46-58(70)59-47-51(35-39-71(59)85)63-27-15-19-43-83-63;1-43(2)64-66(83-60-27-23-44(70-75-31-11-32-76-70)39-52(60)53-40-45(24-28-61(53)83)71-77-33-12-34-78-71)68(85-56-19-7-3-15-48(56)49-16-4-8-20-57(49)85)65(74)69(86-58-21-9-5-17-50(58)51-18-6-10-22-59(51)86)67(64)84-62-29-25-46(72-79-35-13-36-80-72)41-54(62)55-42-47(26-30-63(55)84)73-81-37-14-38-82-73;1-43(2)68-70(83-64-23-19-44(48-31-75-39-76-32-48)27-56(64)57-28-45(20-24-65(57)83)49-33-77-40-78-34-49)72(85-60-15-7-3-11-52(60)53-12-4-8-16-61(53)85)69(74)73(86-62-17-9-5-13-54(62)55-14-6-10-18-63(55)86)71(68)84-66-25-21-46(50-35-79-41-80-36-50)29-58(66)59-30-47(22-26-67(59)84)51-37-81-42-82-38-51/h4-47H,1-3H3;2*3-43H,1-2H3
InChIKeyVVNSXOLBVMBKFV-UHFFFAOYSA-N
XLogP54.09
TPSA316.96 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003343.86
LogP ≤ 554.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 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 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

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
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
3-[3-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 118055425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ccccn3)cc2c2cc(-c3ccccn3)ccc21.CC(C)c1c(-n2c3ccc(-c4cncnc4)cc3c3cc(-c4cncnc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3cncnc3)cc2c2cc(-c3cncnc3)ccc21.CC(C)c1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.
What is the InChIKey of 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?
The InChIKey is VVNSXOLBVMBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53FN8.2C73H47FN12/c1-78(2,3)72-74(84-68-36-32-48(60-24-12-16-40-80-60)44-56(68)57-45-49(33-37-69(57)84)61-25-13-17-41-81-61)76(86-64-28-8-4-20-52(64)53-21-5-9-29-65(53)86)73(79)77(87-66-30-10-6-22-54(66)55-23-7-11-31-67(55)87)75(72)85-70-38-34-50(62-26-14-18-42-82-62)46-58(70)59-47-51(35-39-71(59)85)63-27-15-19-43-83-63;1-43(2)64-66(83-60-27-23-44(70-75-31-11-32-76-70)39-52(60)53-40-45(24-28-61(53)83)71-77-33-12-34-78-71)68(85-56-19-7-3-15-48(56)49-16-4-8-20-57(49)85)65(74)69(86-58-21-9-5-17-50(58)51-18-6-10-22-59(51)86)67(64)84-62-29-25-46(72-79-35-13-36-80-72)41-54(62)55-42-47(26-30-63(55)84)73-81-37-14-38-82-73;1-43(2)68-70(83-64-23-19-44(48-31-75-39-76-32-48)27-56(64)57-28-45(20-24-65(57)83)49-33-77-40-78-34-49)72(85-60-15-7-3-11-52(60)53-12-4-8-16-61(53)85)69(74)73(86-62-17-9-5-13-54(62)55-14-6-10-18-63(55)86)71(68)84-66-25-21-46(50-35-79-41-80-36-50)29-58(66)59-30-47(22-26-67(59)84)51-37-81-42-82-38-51/h4-47H,1-3H3;2*3-43H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3343.86 g/mol, XLogP of 54.09, 26 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161411646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).