2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile

C67H33F6N7 — CID 146519971

IUPAC2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6C#N)cc54)c3C#N)c2c1
InChIInChI=1S/C67H33F6N7/c68-66(69,70)57-18-9-19-58(67(71,72)73)65(57)47-32-63(79-59-28-39(48-14-5-1-10-43(48)34-74)20-24-52(59)53-25-21-40(29-60(53)79)49-15-6-2-11-44(49)35-75)56(38-78)64(33-47)80-61-30-41(50-16-7-3-12-45(50)36-76)22-26-54(61)55-27-23-42(31-62(55)80)51-17-8-4-13-46(51)37-77/h1-33H
InChIKeyKVWLOPSIQDRPIP-UHFFFAOYSA-N
MW1050.04 g/mol
LogP17.61
Rot. Bonds7

About 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile

2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146519971) has the molecular formula C67H33F6N7 and a molecular weight of 1050.04 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID146519971
Molecular FormulaC67H33F6N7
Molecular Weight1050.04 g/mol
Exact Mass1049.27
IUPAC Name2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6C#N)cc54)c3C#N)c2c1
InChIInChI=1S/C67H33F6N7/c68-66(69,70)57-18-9-19-58(67(71,72)73)65(57)47-32-63(79-59-28-39(48-14-5-1-10-43(48)34-74)20-24-52(59)53-25-21-40(29-60(53)79)49-15-6-2-11-44(49)35-75)56(38-78)64(33-47)80-61-30-41(50-16-7-3-12-45(50)36-76)22-26-54(61)55-27-23-42(31-62(55)80)51-17-8-4-13-46(51)37-77/h1-33H
InChIKeyKVWLOPSIQDRPIP-UHFFFAOYSA-N
XLogP17.61
TPSA128.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.04
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300208
4-[9-[2-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137381753
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 152833052
4-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137382215
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300219
4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137393080
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
CID 154959862
4-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137382226
2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654203
2-[9-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-methylphenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 146520130
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414204
2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 161471761

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (CID 146519971) is 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6C#N)cc54)c3C#N)c2c1.
What is the InChIKey of 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is KVWLOPSIQDRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H33F6N7/c68-66(69,70)57-18-9-19-58(67(71,72)73)65(57)47-32-63(79-59-28-39(48-14-5-1-10-43(48)34-74)20-24-52(59)53-25-21-40(29-60(53)79)49-15-6-2-11-44(49)35-75)56(38-78)64(33-47)80-61-30-41(50-16-7-3-12-45(50)36-76)22-26-54(61)55-27-23-42(31-62(55)80)51-17-8-4-13-46(51)37-77/h1-33H.
What are the key properties of 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1050.04 g/mol, XLogP of 17.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146519971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).