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

C70H54F3N3 — CID 134295734

IUPAC2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c(C#N)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C70H54F3N3/c1-40-13-20-56(45(6)27-40)49-17-24-65-60(34-49)59-33-48(55-12-10-9-11-44(55)5)16-23-64(59)75(65)68-37-53(52-30-43(4)31-54(32-52)70(71,72)73)38-69(63(68)39-74)76-66-25-18-50(57-21-14-41(2)28-46(57)7)35-61(66)62-36-51(19-26-67(62)76)58-22-15-42(3)29-47(58)8/h9-38H,1-8H3
InChIKeyJFMNMIIPCGCFPR-UHFFFAOYSA-N
MW994.22 g/mol
LogP19.57
Rot. Bonds7

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

2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 134295734) has the molecular formula C70H54F3N3 and a molecular weight of 994.22 g/mol. Its IUPAC name is 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID134295734
Molecular FormulaC70H54F3N3
Molecular Weight994.22 g/mol
Exact Mass993.43
IUPAC Name2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c(C#N)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C70H54F3N3/c1-40-13-20-56(45(6)27-40)49-17-24-65-60(34-49)59-33-48(55-12-10-9-11-44(55)5)16-23-64(59)75(65)68-37-53(52-30-43(4)31-54(32-52)70(71,72)73)38-69(63(68)39-74)76-66-25-18-50(57-21-14-41(2)28-46(57)7)35-61(66)62-36-51(19-26-67(62)76)58-22-15-42(3)29-47(58)8/h9-38H,1-8H3
InChIKeyJFMNMIIPCGCFPR-UHFFFAOYSA-N
XLogP19.57
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.22
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402136
3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295670
3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499309
3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499580
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 158283919
2,6-bis[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)benzonitrile;2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)-6-[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]-6-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159509913
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155378016
2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[4-[5-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[3-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-cyanophenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 134287599
2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499308
2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295725
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295573

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile (CID 134295734) is 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile is Cc1cc(-c2cc(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c(C#N)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is JFMNMIIPCGCFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54F3N3/c1-40-13-20-56(45(6)27-40)49-17-24-65-60(34-49)59-33-48(55-12-10-9-11-44(55)5)16-23-64(59)75(65)68-37-53(52-30-43(4)31-54(32-52)70(71,72)73)38-69(63(68)39-74)76-66-25-18-50(57-21-14-41(2)28-46(57)7)35-61(66)62-36-51(19-26-67(62)76)58-22-15-42(3)29-47(58)8/h9-38H,1-8H3.
What are the key properties of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 994.22 g/mol, XLogP of 19.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 134295734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).