4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile

C202H124N16 — CID 160786020

IUPAC4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C109H68N6.C93H56N10/c110-69-70-47-49-77(50-48-70)104-105(113-98-63-78(71-27-7-1-8-28-71)51-57-88(98)89-58-52-79(64-99(89)113)72-29-9-2-10-30-72)107(111-94-43-23-19-39-84(94)85-40-20-24-44-95(85)111)109(115-102-67-82(75-35-15-5-16-36-75)55-61-92(102)93-62-56-83(68-103(93)115)76-37-17-6-18-38-76)108(112-96-45-25-21-41-86(96)87-42-22-26-46-97(87)112)106(104)114-100-65-80(73-31-11-3-12-32-73)53-59-90(100)91-60-54-81(66-101(91)114)74-33-13-4-14-34-74;94-53-58-33-35-59(36-34-58)88-89(99-78-27-7-1-21-68(78)69-22-2-8-28-79(69)99)91(102-84-41-37-60(64-17-13-45-95-54-64)49-74(84)75-50-61(38-42-85(75)102)65-18-14-46-96-55-65)93(101-82-31-11-5-25-72(82)73-26-6-12-32-83(73)101)92(90(88)100-80-29-9-3-23-70(80)71-24-4-10-30-81(71)100)103-86-43-39-62(66-19-15-47-97-56-66)51-76(86)77-52-63(40-44-87(77)103)67-20-16-48-98-57-67/h1-68H;1-52,54-57H
InChIKeySBFGTMOIMHCZKL-UHFFFAOYSA-N
MW2775.33 g/mol
LogP51.67
Rot. Bonds22

About 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile

4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 160786020) has the molecular formula C202H124N16 and a molecular weight of 2775.33 g/mol. Its IUPAC name is 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID160786020
Molecular FormulaC202H124N16
Molecular Weight2775.33 g/mol
Exact Mass2773.02
IUPAC Name4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C109H68N6.C93H56N10/c110-69-70-47-49-77(50-48-70)104-105(113-98-63-78(71-27-7-1-8-28-71)51-57-88(98)89-58-52-79(64-99(89)113)72-29-9-2-10-30-72)107(111-94-43-23-19-39-84(94)85-40-20-24-44-95(85)111)109(115-102-67-82(75-35-15-5-16-36-75)55-61-92(102)93-62-56-83(68-103(93)115)76-37-17-6-18-38-76)108(112-96-45-25-21-41-86(96)87-42-22-26-46-97(87)112)106(104)114-100-65-80(73-31-11-3-12-32-73)53-59-90(100)91-60-54-81(66-101(91)114)74-33-13-4-14-34-74;94-53-58-33-35-59(36-34-58)88-89(99-78-27-7-1-21-68(78)69-22-2-8-28-79(69)99)91(102-84-41-37-60(64-17-13-45-95-54-64)49-74(84)75-50-61(38-42-85(75)102)65-18-14-46-96-55-65)93(101-82-31-11-5-25-72(82)73-26-6-12-32-83(73)101)92(90(88)100-80-29-9-3-23-70(80)71-24-4-10-30-81(71)100)103-86-43-39-62(66-19-15-47-97-56-66)51-76(86)77-52-63(40-44-87(77)103)67-20-16-48-98-57-67/h1-68H;1-52,54-57H
InChIKeySBFGTMOIMHCZKL-UHFFFAOYSA-N
XLogP51.67
TPSA148.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002775.33
LogP ≤ 551.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 155138603
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
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
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
9-[3,4,5-tris(3-cyanocarbazol-9-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-pyridin-4-ylphenyl]carbazole-3-carbonitrile
CID 139545281
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
4-[3-(4-cyanophenyl)-2,4,6-tris(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138675036

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile (CID 160786020) is 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is SBFGTMOIMHCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H68N6.C93H56N10/c110-69-70-47-49-77(50-48-70)104-105(113-98-63-78(71-27-7-1-8-28-71)51-57-88(98)89-58-52-79(64-99(89)113)72-29-9-2-10-30-72)107(111-94-43-23-19-39-84(94)85-40-20-24-44-95(85)111)109(115-102-67-82(75-35-15-5-16-36-75)55-61-92(102)93-62-56-83(68-103(93)115)76-37-17-6-18-38-76)108(112-96-45-25-21-41-86(96)87-42-22-26-46-97(87)112)106(104)114-100-65-80(73-31-11-3-12-32-73)53-59-90(100)91-60-54-81(66-101(91)114)74-33-13-4-14-34-74;94-53-58-33-35-59(36-34-58)88-89(99-78-27-7-1-21-68(78)69-22-2-8-28-79(69)99)91(102-84-41-37-60(64-17-13-45-95-54-64)49-74(84)75-50-61(38-42-85(75)102)65-18-14-46-96-55-65)93(101-82-31-11-5-25-72(82)73-26-6-12-32-83(73)101)92(90(88)100-80-29-9-3-23-70(80)71-24-4-10-30-81(71)100)103-86-43-39-62(66-19-15-47-97-56-66)51-76(86)77-52-63(40-44-87(77)103)67-20-16-48-98-57-67/h1-68H;1-52,54-57H.
What are the key properties of 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile?
4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 2775.33 g/mol, XLogP of 51.67, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,7-diphenylcarbazol-9-yl)phenyl]benzonitrile;4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-dipyridin-3-ylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 160786020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).