3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

C271H157F6N17O3 — CID 159211954

IUPAC3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2cccc3c2oc2ccccc23)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(-c2cccc3c2oc2ccccc23)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1-c1cccc2c1oc1ccccc12.N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C93H56N6.C91H51N5O3.C87H50F6N6/c94-57-75-87(72-39-13-24-50-84(72)95-76-42-16-5-31-62(76)63-32-6-17-43-77(63)95)92(98-82-48-22-11-37-68(82)70-55-53-58-27-1-3-29-60(58)90(70)98)89(74-41-15-26-52-86(74)97-80-46-20-9-35-66(80)67-36-10-21-47-81(67)97)93(99-83-49-23-12-38-69(83)71-56-54-59-28-2-4-30-61(59)91(71)99)88(75)73-40-14-25-51-85(73)96-78-44-18-7-33-64(78)65-34-8-19-45-79(65)96;92-52-72-80(69-38-21-35-66-59-32-11-18-45-77(59)97-89(66)69)87(95-75-43-16-9-30-57(75)64-50-48-62-55-28-7-14-41-73(55)93(83(62)85(64)95)53-24-3-1-4-25-53)82(71-40-23-37-68-61-34-13-20-47-79(61)99-91(68)71)88(81(72)70-39-22-36-67-60-33-12-19-46-78(60)98-90(67)70)96-76-44-17-10-31-58(76)65-51-49-63-56-29-8-15-42-74(56)94(84(63)86(65)96)54-26-5-2-6-27-54;88-86(89,90)52-45-47-79-65(49-52)60-29-7-18-40-74(60)98(79)84-81(62-31-9-20-42-76(62)95-68-34-12-1-23-54(68)55-24-2-13-35-69(55)95)67(51-94)82(63-32-10-21-43-77(63)96-70-36-14-3-25-56(70)57-26-4-15-37-71(57)96)85(99-75-41-19-8-30-61(75)66-50-53(87(91,92)93)46-48-80(66)99)83(84)64-33-11-22-44-78(64)97-72-38-16-5-27-58(72)59-28-6-17-39-73(59)97/h1-56H;1-51H;1-50H
InChIKeyKQPFQLQOMKDRFW-UHFFFAOYSA-N
MW3813.34 g/mol
LogP73.08
Rot. Bonds23

About 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 159211954) has the molecular formula C271H157F6N17O3 and a molecular weight of 3813.34 g/mol. Its IUPAC name is 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID159211954
Molecular FormulaC271H157F6N17O3
Molecular Weight3813.34 g/mol
Exact Mass3810.26
IUPAC Name3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2cccc3c2oc2ccccc23)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(-c2cccc3c2oc2ccccc23)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1-c1cccc2c1oc1ccccc12.N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C93H56N6.C91H51N5O3.C87H50F6N6/c94-57-75-87(72-39-13-24-50-84(72)95-76-42-16-5-31-62(76)63-32-6-17-43-77(63)95)92(98-82-48-22-11-37-68(82)70-55-53-58-27-1-3-29-60(58)90(70)98)89(74-41-15-26-52-86(74)97-80-46-20-9-35-66(80)67-36-10-21-47-81(67)97)93(99-83-49-23-12-38-69(83)71-56-54-59-28-2-4-30-61(59)91(71)99)88(75)73-40-14-25-51-85(73)96-78-44-18-7-33-64(78)65-34-8-19-45-79(65)96;92-52-72-80(69-38-21-35-66-59-32-11-18-45-77(59)97-89(66)69)87(95-75-43-16-9-30-57(75)64-50-48-62-55-28-7-14-41-73(55)93(83(62)85(64)95)53-24-3-1-4-25-53)82(71-40-23-37-68-61-34-13-20-47-79(61)99-91(68)71)88(81(72)70-39-22-36-67-60-33-12-19-46-78(60)98-90(67)70)96-76-44-17-10-31-58(76)65-51-49-63-56-29-8-15-42-74(56)94(84(63)86(65)96)54-26-5-2-6-27-54;88-86(89,90)52-45-47-79-65(49-52)60-29-7-18-40-74(60)98(79)84-81(62-31-9-20-42-76(62)95-68-34-12-1-23-54(68)55-24-2-13-35-69(55)95)67(51-94)82(63-32-10-21-43-77(63)96-70-36-14-3-25-56(70)57-26-4-15-37-71(57)96)85(99-75-41-19-8-30-61(75)66-50-53(87(91,92)93)46-48-80(66)99)83(84)64-33-11-22-44-78(64)97-72-38-16-5-27-58(72)59-28-6-17-39-73(59)97/h1-56H;1-51H;1-50H
InChIKeyKQPFQLQOMKDRFW-UHFFFAOYSA-N
XLogP73.08
TPSA179.81 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003813.34
LogP ≤ 573.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

5-Dibenzofuran-3-yl-23-(2,6-diphenyl-4-pyridinyl)-19-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340745
10-Dibenzofuran-2-yl-23-(2,6-diphenyl-4-pyridinyl)-19-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 121340755
11-Dibenzofuran-2-yl-23-(2,6-diphenyl-4-pyridinyl)-19-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 121340761
4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
CID 126621602
N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
CID 126718566
4-[3,5-Bis(trifluoromethyl)phenyl]-2,6-bis(4-dibenzofuran-2-ylcarbazol-9-yl)benzonitrile
CID 134287515
4-[3,5-Bis(trifluoromethyl)phenyl]-2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)benzonitrile
CID 134287545
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287687
2,6-Bis(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295574
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295576
2,6-Bis(4-dibenzofuran-2-ylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295577

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 159211954) is 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1c(-c2cccc3c2oc2ccccc23)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(-c2cccc3c2oc2ccccc23)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1-c1cccc2c1oc1ccccc12.N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4ccccc4c32)c1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is KQPFQLQOMKDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H56N6.C91H51N5O3.C87H50F6N6/c94-57-75-87(72-39-13-24-50-84(72)95-76-42-16-5-31-62(76)63-32-6-17-43-77(63)95)92(98-82-48-22-11-37-68(82)70-55-53-58-27-1-3-29-60(58)90(70)98)89(74-41-15-26-52-86(74)97-80-46-20-9-35-66(80)67-36-10-21-47-81(67)97)93(99-83-49-23-12-38-69(83)71-56-54-59-28-2-4-30-61(59)91(71)99)88(75)73-40-14-25-51-85(73)96-78-44-18-7-33-64(78)65-34-8-19-45-79(65)96;92-52-72-80(69-38-21-35-66-59-32-11-18-45-77(59)97-89(66)69)87(95-75-43-16-9-30-57(75)64-50-48-62-55-28-7-14-41-73(55)93(83(62)85(64)95)53-24-3-1-4-25-53)82(71-40-23-37-68-61-34-13-20-47-79(61)99-91(68)71)88(81(72)70-39-22-36-67-60-33-12-19-46-78(60)98-90(67)70)96-76-44-17-10-31-58(76)65-51-49-63-56-29-8-15-42-74(56)94(84(63)86(65)96)54-26-5-2-6-27-54;88-86(89,90)52-45-47-79-65(49-52)60-29-7-18-40-74(60)98(79)84-81(62-31-9-20-42-76(62)95-68-34-12-1-23-54(68)55-24-2-13-35-69(55)95)67(51-94)82(63-32-10-21-43-77(63)96-70-36-14-3-25-56(70)57-26-4-15-37-71(57)96)85(99-75-41-19-8-30-61(75)66-50-53(87(91,92)93)46-48-80(66)99)83(84)64-33-11-22-44-78(64)97-72-38-16-5-27-58(72)59-28-6-17-39-73(59)97/h1-56H;1-51H;1-50H.
What are the key properties of 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 3813.34 g/mol, XLogP of 73.08, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 159211954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).