3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

C120H58F6N14 — CID 171929847

IUPAC3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)c(-c8cc(-c9cccc(C#N)c9)cc9c8c8ccc(-c%10cccc(C#N)c%10)cc8n9-c8cc(C#N)cc(-n9c%10cc(-c%11cccc(C#N)c%11)ccc%10c%10ccc(-c%11cccc(C#N)c%11)cc%109)c8-c8ccc(C#N)cc8C(F)(F)F)c7)cc65)c4-c4ccc(C#N)cc4C(F)(F)F)c3c2)cc1
InChIInChI=1S/C120H58F6N14/c121-119(122,123)102-45-74(64-132)23-34-97(102)117-111(137-104-19-3-1-17-91(104)93-36-29-84(53-106(93)137)78-25-21-69(59-127)22-26-78)47-76(66-134)48-112(117)138-105-20-4-2-18-92(105)94-37-32-88(56-107(94)138)83-27-28-89(68-136)100(51-83)101-52-90(82-16-8-12-73(44-82)63-131)58-115-116(101)99-40-33-87(81-15-7-11-72(43-81)62-130)57-110(99)140(115)114-50-77(67-135)49-113(118(114)98-35-24-75(65-133)46-103(98)120(124,125)126)139-108-54-85(79-13-5-9-70(41-79)60-128)30-38-95(108)96-39-31-86(55-109(96)139)80-14-6-10-71(42-80)61-129/h1-58H
InChIKeyZBEYHISPVKPLHP-UHFFFAOYSA-N
MW1809.87 g/mol
LogP29.83
Rot. Bonds13

About 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 171929847) has the molecular formula C120H58F6N14 and a molecular weight of 1809.87 g/mol. Its IUPAC name is 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID171929847
Molecular FormulaC120H58F6N14
Molecular Weight1809.87 g/mol
Exact Mass1808.49
IUPAC Name3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)c(-c8cc(-c9cccc(C#N)c9)cc9c8c8ccc(-c%10cccc(C#N)c%10)cc8n9-c8cc(C#N)cc(-n9c%10cc(-c%11cccc(C#N)c%11)ccc%10c%10ccc(-c%11cccc(C#N)c%11)cc%109)c8-c8ccc(C#N)cc8C(F)(F)F)c7)cc65)c4-c4ccc(C#N)cc4C(F)(F)F)c3c2)cc1
InChIInChI=1S/C120H58F6N14/c121-119(122,123)102-45-74(64-132)23-34-97(102)117-111(137-104-19-3-1-17-91(104)93-36-29-84(53-106(93)137)78-25-21-69(59-127)22-26-78)47-76(66-134)48-112(117)138-105-20-4-2-18-92(105)94-37-32-88(56-107(94)138)83-27-28-89(68-136)100(51-83)101-52-90(82-16-8-12-73(44-82)63-131)58-115-116(101)99-40-33-87(81-15-7-11-72(43-81)62-130)57-110(99)140(115)114-50-77(67-135)49-113(118(114)98-35-24-75(65-133)46-103(98)120(124,125)126)139-108-54-85(79-13-5-9-70(41-79)60-128)30-38-95(108)96-39-31-86(55-109(96)139)80-14-6-10-71(42-80)61-129/h1-58H
InChIKeyZBEYHISPVKPLHP-UHFFFAOYSA-N
XLogP29.83
TPSA257.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.87
LogP ≤ 529.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414331
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
4-[4-cyano-2-(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 142414332
3,5-bis[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 154040624
3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386429
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300624
2-[2,6-bis(trifluoromethyl)phenyl]-4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 137393375
2,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153302971
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-[3,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238232
3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-dimethylpyrimidin-2-yl)phenyl]-2,7-bis(3-cyanophenyl)carbazol-3-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217452

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (CID 171929847) is 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)c(-c8cc(-c9cccc(C#N)c9)cc9c8c8ccc(-c%10cccc(C#N)c%10)cc8n9-c8cc(C#N)cc(-n9c%10cc(-c%11cccc(C#N)c%11)ccc%10c%10ccc(-c%11cccc(C#N)c%11)cc%109)c8-c8ccc(C#N)cc8C(F)(F)F)c7)cc65)c4-c4ccc(C#N)cc4C(F)(F)F)c3c2)cc1.
What is the InChIKey of 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ZBEYHISPVKPLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H58F6N14/c121-119(122,123)102-45-74(64-132)23-34-97(102)117-111(137-104-19-3-1-17-91(104)93-36-29-84(53-106(93)137)78-25-21-69(59-127)22-26-78)47-76(66-134)48-112(117)138-105-20-4-2-18-92(105)94-37-32-88(56-107(94)138)83-27-28-89(68-136)100(51-83)101-52-90(82-16-8-12-73(44-82)63-131)58-115-116(101)99-40-33-87(81-15-7-11-72(43-81)62-130)57-110(99)140(115)114-50-77(67-135)49-113(118(114)98-35-24-75(65-133)46-103(98)120(124,125)126)139-108-54-85(79-13-5-9-70(41-79)60-128)30-38-95(108)96-39-31-86(55-109(96)139)80-14-6-10-71(42-80)61-129/h1-58H.
What are the key properties of 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1809.87 g/mol, XLogP of 29.83, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 171929847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).