2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile

C70H30F24N4 — CID 155377775

IUPAC2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C70H30F24N4/c71-63(72,73)43-15-39(16-44(27-43)64(74,75)76)34-4-9-57-52(23-34)53-24-35(40-17-45(65(77,78)79)28-46(18-40)66(80,81)82)5-10-58(53)97(57)61-13-8-51(38-3-1-2-33(14-38)31-95)62(56(61)32-96)98-59-11-6-36(41-19-47(67(83,84)85)29-48(20-41)68(86,87)88)25-54(59)55-26-37(7-12-60(55)98)42-21-49(69(89,90)91)30-50(22-42)70(92,93)94/h1-30H
InChIKeyLWNBZAMCFNLDRO-UHFFFAOYSA-N
MW1382.99 g/mol
LogP24.11
Rot. Bonds7

About 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile

2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile (PubChem CID 155377775) has the molecular formula C70H30F24N4 and a molecular weight of 1382.99 g/mol. Its IUPAC name is 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
PubChem CID155377775
Molecular FormulaC70H30F24N4
Molecular Weight1382.99 g/mol
Exact Mass1382.21
IUPAC Name2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C70H30F24N4/c71-63(72,73)43-15-39(16-44(27-43)64(74,75)76)34-4-9-57-52(23-34)53-24-35(40-17-45(65(77,78)79)28-46(18-40)66(80,81)82)5-10-58(53)97(57)61-13-8-51(38-3-1-2-33(14-38)31-95)62(56(61)32-96)98-59-11-6-36(41-19-47(67(83,84)85)29-48(20-41)68(86,87)88)25-54(59)55-26-37(7-12-60(55)98)42-21-49(69(89,90)91)30-50(22-42)70(92,93)94/h1-30H
InChIKeyLWNBZAMCFNLDRO-UHFFFAOYSA-N
XLogP24.11
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001382.99
LogP ≤ 524.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
CID 155377754
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427685
3-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499490
2,6-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237920
5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142465726
2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427397
5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499701
3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138498906
3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 149474469

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile (CID 155377775) is 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2ccc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1.
What is the InChIKey of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
The InChIKey is LWNBZAMCFNLDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H30F24N4/c71-63(72,73)43-15-39(16-44(27-43)64(74,75)76)34-4-9-57-52(23-34)53-24-35(40-17-45(65(77,78)79)28-46(18-40)66(80,81)82)5-10-58(53)97(57)61-13-8-51(38-3-1-2-33(14-38)31-95)62(56(61)32-96)98-59-11-6-36(41-19-47(67(83,84)85)29-48(20-41)68(86,87)88)25-54(59)55-26-37(7-12-60(55)98)42-21-49(69(89,90)91)30-50(22-42)70(92,93)94/h1-30H.
What are the key properties of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile?
2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile has a molecular weight of 1382.99 g/mol, XLogP of 24.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).