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

C67H33F6N7 — CID 137392595

IUPAC3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1
InChIInChI=1S/C67H33F6N7/c68-66(69,70)56-2-1-3-57(67(71,72)73)64(56)65-62(79-58-24-20-48(44-12-4-39(34-74)5-13-44)30-52(58)53-31-49(21-25-59(53)79)45-14-6-40(35-75)7-15-45)28-43(38-78)29-63(65)80-60-26-22-50(46-16-8-41(36-76)9-17-46)32-54(60)55-33-51(23-27-61(55)80)47-18-10-42(37-77)11-19-47/h1-33H
InChIKeyZIKPOFSWGWRTBD-UHFFFAOYSA-N
MW1050.04 g/mol
LogP17.61
Rot. Bonds7

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

3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137392595) has the molecular formula C67H33F6N7 and a molecular weight of 1050.04 g/mol. Its IUPAC name is 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID137392595
Molecular FormulaC67H33F6N7
Molecular Weight1050.04 g/mol
Exact Mass1049.27
IUPAC Name3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1
InChIInChI=1S/C67H33F6N7/c68-66(69,70)56-2-1-3-57(67(71,72)73)64(56)65-62(79-58-24-20-48(44-12-4-39(34-74)5-13-44)30-52(58)53-31-49(21-25-59(53)79)45-14-6-40(35-75)7-15-45)28-43(38-78)29-63(65)80-60-26-22-50(46-16-8-41(36-76)9-17-46)32-54(60)55-33-51(23-27-61(55)80)47-18-10-42(37-77)11-19-47/h1-33H
InChIKeyZIKPOFSWGWRTBD-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

3,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392584
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-5-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499811
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzonitrile
CID 168764759
3,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382189
3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499548
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498857
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499752
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381430
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499848

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (CID 137392595) is 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.
What is the InChIKey of 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ZIKPOFSWGWRTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H33F6N7/c68-66(69,70)56-2-1-3-57(67(71,72)73)64(56)65-62(79-58-24-20-48(44-12-4-39(34-74)5-13-44)30-52(58)53-31-49(21-25-59(53)79)45-14-6-40(35-75)7-15-45)28-43(38-78)29-63(65)80-60-26-22-50(46-16-8-41(36-76)9-17-46)32-54(60)55-33-51(23-27-61(55)80)47-18-10-42(37-77)11-19-47/h1-33H.
What are the key properties of 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
3,5-bis[3,6-bis(4-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 3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137392595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).