2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile

C91H60N4 — CID 146532453

IUPAC2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
SMILESN#Cc1c(Nc2ccc(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C91H60N4/c92-60-81-89(93-82-49-44-70(62-28-11-2-12-29-62)55-76(82)75-43-25-42-69(54-75)61-26-9-1-10-27-61)87(67-38-21-7-22-39-67)91(95-85-52-47-73(65-34-17-5-18-35-65)58-79(85)80-59-74(48-53-86(80)95)66-36-19-6-20-37-66)88(68-40-23-8-24-41-68)90(81)94-83-50-45-71(63-30-13-3-14-31-63)56-77(83)78-57-72(46-51-84(78)94)64-32-15-4-16-33-64/h1-59,93H
InChIKeyZRRTXLDTGDBYGE-UHFFFAOYSA-N
MW1209.51 g/mol
LogP24.50
Rot. Bonds13

About 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile

2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile (PubChem CID 146532453) has the molecular formula C91H60N4 and a molecular weight of 1209.51 g/mol. Its IUPAC name is 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile.

Molecular Properties

Compound Name2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
PubChem CID146532453
Molecular FormulaC91H60N4
Molecular Weight1209.51 g/mol
Exact Mass1208.48
IUPAC Name2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
SMILESN#Cc1c(Nc2ccc(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C91H60N4/c92-60-81-89(93-82-49-44-70(62-28-11-2-12-29-62)55-76(82)75-43-25-42-69(54-75)61-26-9-1-10-27-61)87(67-38-21-7-22-39-67)91(95-85-52-47-73(65-34-17-5-18-35-65)58-79(85)80-59-74(48-53-86(80)95)66-36-19-6-20-37-66)88(68-40-23-8-24-41-68)90(81)94-83-50-45-71(63-30-13-3-14-31-63)56-77(83)78-57-72(46-51-84(78)94)64-32-15-4-16-33-64/h1-59,93H
InChIKeyZRRTXLDTGDBYGE-UHFFFAOYSA-N
XLogP24.50
TPSA45.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.51
LogP ≤ 524.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
CID 146532731
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
3,6-diphenyl-9H-carbazole;2,4,5-trifluoro-3,6-diphenylbenzonitrile;2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-diphenylbenzonitrile
CID 160794832
3-(3,6-dimethylcarbazol-9-yl)-22-fluoro-5-[3-(4-fluorophenyl)phenyl]-12-methyl-8-azaheptacyclo[24.3.1.115,19.02,7.08,16.09,14.020,25]hentriaconta-1(29),2(7),3,5,9(14),10,12,15,17,19(31),20(25),21,23,26(30),27-pentadecaene-4,6-dicarbonitrile
CID 163831396
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
4-[3-(4-cyanophenyl)-2,4,6-tris(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138675036
4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
CID 139559752

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
The IUPAC name of 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile (CID 146532453) is 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile.
What is the SMILES notation for 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
The canonical SMILES for 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile is N#Cc1c(Nc2ccc(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
The InChIKey is ZRRTXLDTGDBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H60N4/c92-60-81-89(93-82-49-44-70(62-28-11-2-12-29-62)55-76(82)75-43-25-42-69(54-75)61-26-9-1-10-27-61)87(67-38-21-7-22-39-67)91(95-85-52-47-73(65-34-17-5-18-35-65)58-79(85)80-59-74(48-53-86(80)95)66-36-19-6-20-37-66)88(68-40-23-8-24-41-68)90(81)94-83-50-45-71(63-30-13-3-14-31-63)56-77(83)78-57-72(46-51-84(78)94)64-32-15-4-16-33-64/h1-59,93H.
What are the key properties of 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile has a molecular weight of 1209.51 g/mol, XLogP of 24.50, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile is sourced from PubChem (CID 146532453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).