3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile

C272H160F12N20 — CID 160603792

IUPAC3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C(F)(F)F)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(C(F)(F)F)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c1
InChIInChI=1S/2C86H50F3N7.2C50H30F3N3/c87-86(88,89)85-83(95-79-40-36-55(91-71-28-9-1-20-59(71)60-21-2-10-29-72(60)91)47-67(79)68-48-56(37-41-80(68)95)92-73-30-11-3-22-61(73)62-23-4-12-31-74(62)92)45-54(53-19-17-18-52(44-53)51-90)46-84(85)96-81-42-38-57(93-75-32-13-5-24-63(75)64-25-6-14-33-76(64)93)49-69(81)70-50-58(39-43-82(70)96)94-77-34-15-7-26-65(77)66-27-8-16-35-78(66)94;87-86(88,89)85-83(95-79-47-55(91-71-28-9-1-20-59(71)60-21-2-10-29-72(60)91)36-40-67(79)68-41-37-56(48-80(68)95)92-73-30-11-3-22-61(73)62-23-4-12-31-74(62)92)45-54(53-19-17-18-52(44-53)51-90)46-84(85)96-81-49-57(93-75-32-13-5-24-63(75)64-25-6-14-33-76(64)93)38-42-69(81)70-43-39-58(50-82(70)96)94-77-34-15-7-26-65(77)66-27-8-16-35-78(66)94;51-50(52,53)49-47(55-43-20-9-7-18-39(43)41-27-36(22-24-45(41)55)33-13-3-1-4-14-33)29-38(35-17-11-12-32(26-35)31-54)30-48(49)56-44-21-10-8-19-40(44)42-28-37(23-25-46(42)56)34-15-5-2-6-16-34;51-50(52,53)49-47(55-43-20-9-7-18-39(43)41-24-22-36(27-45(41)55)33-13-3-1-4-14-33)29-38(35-17-11-12-32(26-35)31-54)30-48(49)56-44-21-10-8-19-40(44)42-25-23-37(28-46(42)56)34-15-5-2-6-16-34/h2*1-50H;2*1-30H
InChIKeyREPRCIDFLWFXAV-UHFFFAOYSA-N
MW3936.39 g/mol
LogP73.20
Rot. Bonds24

About 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile

3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 160603792) has the molecular formula C272H160F12N20 and a molecular weight of 3936.39 g/mol. Its IUPAC name is 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID160603792
Molecular FormulaC272H160F12N20
Molecular Weight3936.39 g/mol
Exact Mass3933.29
IUPAC Name3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C(F)(F)F)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(C(F)(F)F)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c1
InChIInChI=1S/2C86H50F3N7.2C50H30F3N3/c87-86(88,89)85-83(95-79-40-36-55(91-71-28-9-1-20-59(71)60-21-2-10-29-72(60)91)47-67(79)68-48-56(37-41-80(68)95)92-73-30-11-3-22-61(73)62-23-4-12-31-74(62)92)45-54(53-19-17-18-52(44-53)51-90)46-84(85)96-81-42-38-57(93-75-32-13-5-24-63(75)64-25-6-14-33-76(64)93)49-69(81)70-50-58(39-43-82(70)96)94-77-34-15-7-26-65(77)66-27-8-16-35-78(66)94;87-86(88,89)85-83(95-79-47-55(91-71-28-9-1-20-59(71)60-21-2-10-29-72(60)91)36-40-67(79)68-41-37-56(48-80(68)95)92-73-30-11-3-22-61(73)62-23-4-12-31-74(62)92)45-54(53-19-17-18-52(44-53)51-90)46-84(85)96-81-49-57(93-75-32-13-5-24-63(75)64-25-6-14-33-76(64)93)38-42-69(81)70-43-39-58(50-82(70)96)94-77-34-15-7-26-65(77)66-27-8-16-35-78(66)94;51-50(52,53)49-47(55-43-20-9-7-18-39(43)41-27-36(22-24-45(41)55)33-13-3-1-4-14-33)29-38(35-17-11-12-32(26-35)31-54)30-48(49)56-44-21-10-8-19-40(44)42-28-37(23-25-46(42)56)34-15-5-2-6-16-34;51-50(52,53)49-47(55-43-20-9-7-18-39(43)41-24-22-36(27-45(41)55)33-13-3-1-4-14-33)29-38(35-17-11-12-32(26-35)31-54)30-48(49)56-44-21-10-8-19-40(44)42-25-23-37(28-46(42)56)34-15-5-2-6-16-34/h2*1-50H;2*1-30H
InChIKeyREPRCIDFLWFXAV-UHFFFAOYSA-N
XLogP73.20
TPSA174.04 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003936.39
LogP ≤ 573.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146238055
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238063
3-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238097
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
3-[3,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238232
5-[3,5-bis(3-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612245
3-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716
3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 146892582
3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377671
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile (CID 160603792) is 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C(F)(F)F)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(C(F)(F)F)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c1.
What is the InChIKey of 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is REPRCIDFLWFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C86H50F3N7.2C50H30F3N3/c87-86(88,89)85-83(95-79-40-36-55(91-71-28-9-1-20-59(71)60-21-2-10-29-72(60)91)47-67(79)68-48-56(37-41-80(68)95)92-73-30-11-3-22-61(73)62-23-4-12-31-74(62)92)45-54(53-19-17-18-52(44-53)51-90)46-84(85)96-81-42-38-57(93-75-32-13-5-24-63(75)64-25-6-14-33-76(64)93)49-69(81)70-50-58(39-43-82(70)96)94-77-34-15-7-26-65(77)66-27-8-16-35-78(66)94;87-86(88,89)85-83(95-79-47-55(91-71-28-9-1-20-59(71)60-21-2-10-29-72(60)91)36-40-67(79)68-41-37-56(48-80(68)95)92-73-30-11-3-22-61(73)62-23-4-12-31-74(62)92)45-54(53-19-17-18-52(44-53)51-90)46-84(85)96-81-49-57(93-75-32-13-5-24-63(75)64-25-6-14-33-76(64)93)38-42-69(81)70-43-39-58(50-82(70)96)94-77-34-15-7-26-65(77)66-27-8-16-35-78(66)94;51-50(52,53)49-47(55-43-20-9-7-18-39(43)41-27-36(22-24-45(41)55)33-13-3-1-4-14-33)29-38(35-17-11-12-32(26-35)31-54)30-48(49)56-44-21-10-8-19-40(44)42-28-37(23-25-46(42)56)34-15-5-2-6-16-34;51-50(52,53)49-47(55-43-20-9-7-18-39(43)41-24-22-36(27-45(41)55)33-13-3-1-4-14-33)29-38(35-17-11-12-32(26-35)31-54)30-48(49)56-44-21-10-8-19-40(44)42-25-23-37(28-46(42)56)34-15-5-2-6-16-34/h2*1-50H;2*1-30H.
What are the key properties of 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile?
3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 3936.39 g/mol, XLogP of 73.20, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 160603792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).