4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile

C69H44F6N4 — CID 137369133

IUPAC4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile
SMILESN#Cc1c(-c2ccccc2N(c2ccccc2)c2ccccc2)c(-c2ccccc2)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-c2ccccc2)c1-c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C69H44F6N4/c70-68(71,72)48-39-41-54-55-42-40-49(69(73,74)75)44-62(55)79(61(54)43-48)67-63(46-23-7-1-8-24-46)65(56-35-19-21-37-59(56)77(50-27-11-3-12-28-50)51-29-13-4-14-30-51)58(45-76)66(64(67)47-25-9-2-10-26-47)57-36-20-22-38-60(57)78(52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-44H
InChIKeyYURSHUUQLVYRDK-UHFFFAOYSA-N
MW1043.13 g/mol
LogP20.30
Rot. Bonds11

About 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile

4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile (PubChem CID 137369133) has the molecular formula C69H44F6N4 and a molecular weight of 1043.13 g/mol. Its IUPAC name is 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile
PubChem CID137369133
Molecular FormulaC69H44F6N4
Molecular Weight1043.13 g/mol
Exact Mass1042.35
IUPAC Name4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile
SMILESN#Cc1c(-c2ccccc2N(c2ccccc2)c2ccccc2)c(-c2ccccc2)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-c2ccccc2)c1-c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C69H44F6N4/c70-68(71,72)48-39-41-54-55-42-40-49(69(73,74)75)44-62(55)79(61(54)43-48)67-63(46-23-7-1-8-24-46)65(56-35-19-21-37-59(56)77(50-27-11-3-12-28-50)51-29-13-4-14-30-51)58(45-76)66(64(67)47-25-9-2-10-26-47)57-36-20-22-38-60(57)78(52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-44H
InChIKeyYURSHUUQLVYRDK-UHFFFAOYSA-N
XLogP20.30
TPSA35.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.13
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile
CID 137369087
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
2,6-di(dibenzothiophen-1-yl)-3,4,5-tris[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137369199
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 142508548
2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 121303123
2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118265851
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 154040956
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 137368725
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,6-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 137368865
2,6-bis(3,6-dimethylcarbazol-9-yl)-3,5-diphenyl-4-(N-phenylanilino)benzonitrile
CID 137369299
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile?
The IUPAC name of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile (CID 137369133) is 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile.
What is the SMILES notation for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile?
The canonical SMILES for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile is N#Cc1c(-c2ccccc2N(c2ccccc2)c2ccccc2)c(-c2ccccc2)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-c2ccccc2)c1-c1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile?
The InChIKey is YURSHUUQLVYRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44F6N4/c70-68(71,72)48-39-41-54-55-42-40-49(69(73,74)75)44-62(55)79(61(54)43-48)67-63(46-23-7-1-8-24-46)65(56-35-19-21-37-59(56)77(50-27-11-3-12-28-50)51-29-13-4-14-30-51)58(45-76)66(64(67)47-25-9-2-10-26-47)57-36-20-22-38-60(57)78(52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-44H.
What are the key properties of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile?
4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile has a molecular weight of 1043.13 g/mol, XLogP of 20.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile is sourced from PubChem (CID 137369133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).