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

C70H30F24N4 — CID 155377522

IUPAC2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(C#N)c(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2)c1
InChIInChI=1S/C70H30F24N4/c71-63(72,73)44-13-39(14-45(27-44)64(74,75)76)35-4-8-52-53-9-5-36(40-15-46(65(77,78)79)28-47(16-40)66(80,81)82)22-58(53)97(57(52)21-35)61-25-43(34-3-1-2-33(12-34)31-95)26-62(56(61)32-96)98-59-23-37(41-17-48(67(83,84)85)29-49(18-41)68(86,87)88)6-10-54(59)55-11-7-38(24-60(55)98)42-19-50(69(89,90)91)30-51(20-42)70(92,93)94/h1-30H
InChIKeyDJTCNBZZESQIJE-UHFFFAOYSA-N
MW1382.99 g/mol
LogP24.11
Rot. Bonds7

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

2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (PubChem CID 155377522) has the molecular formula C70H30F24N4 and a molecular weight of 1382.99 g/mol. Its IUPAC name is 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
PubChem CID155377522
Molecular FormulaC70H30F24N4
Molecular Weight1382.99 g/mol
Exact Mass1382.21
IUPAC Name2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(C#N)c(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2)c1
InChIInChI=1S/C70H30F24N4/c71-63(72,73)44-13-39(14-45(27-44)64(74,75)76)35-4-8-52-53-9-5-36(40-15-46(65(77,78)79)28-47(16-40)66(80,81)82)22-58(53)97(57(52)21-35)61-25-43(34-3-1-2-33(12-34)31-95)26-62(56(61)32-96)98-59-23-37(41-17-48(67(83,84)85)29-49(18-41)68(86,87)88)6-10-54(59)55-11-7-38(24-60(55)98)42-19-50(69(89,90)91)30-51(20-42)70(92,93)94/h1-30H
InChIKeyDJTCNBZZESQIJE-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

4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 159473488
2,6-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142502030
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146238055
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300624
5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238063
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142466030
2,6-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508590
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
3,5-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 137386936
3-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (CID 155377522) is 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(C#N)c(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2)c1.
What is the InChIKey of 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The InChIKey is DJTCNBZZESQIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H30F24N4/c71-63(72,73)44-13-39(14-45(27-44)64(74,75)76)35-4-8-52-53-9-5-36(40-15-46(65(77,78)79)28-47(16-40)66(80,81)82)22-58(53)97(57(52)21-35)61-25-43(34-3-1-2-33(12-34)31-95)26-62(56(61)32-96)98-59-23-37(41-17-48(67(83,84)85)29-49(18-41)68(86,87)88)6-10-54(59)55-11-7-38(24-60(55)98)42-19-50(69(89,90)91)30-51(20-42)70(92,93)94/h1-30H.
What are the key properties of 2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(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[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).