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

C81H65F6N3 — CID 138499579

IUPAC2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(C#N)c(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)ccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1
InChIInChI=1S/C81H65F6N3/c1-43-28-47(5)75(48(6)29-43)55-17-23-70-64(36-55)65-37-56(76-49(7)30-44(2)31-50(76)8)18-24-71(65)89(70)61-22-16-60(42-88)62(41-61)63-40-59(79-68(80(82,83)84)14-13-15-69(79)81(85,86)87)21-27-72(63)90-73-25-19-57(77-51(9)32-45(3)33-52(77)10)38-66(73)67-39-58(20-26-74(67)90)78-53(11)34-46(4)35-54(78)12/h13-41H,1-12H3
InChIKeyMWIYVZWVVFRRDJ-UHFFFAOYSA-N
MW1194.42 g/mol
LogP23.49
Rot. Bonds8

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

2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 138499579) has the molecular formula C81H65F6N3 and a molecular weight of 1194.42 g/mol. Its IUPAC name is 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID138499579
Molecular FormulaC81H65F6N3
Molecular Weight1194.42 g/mol
Exact Mass1193.51
IUPAC Name2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(C#N)c(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)ccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1
InChIInChI=1S/C81H65F6N3/c1-43-28-47(5)75(48(6)29-43)55-17-23-70-64(36-55)65-37-56(76-49(7)30-44(2)31-50(76)8)18-24-71(65)89(70)61-22-16-60(42-88)62(41-61)63-40-59(79-68(80(82,83)84)14-13-15-69(79)81(85,86)87)21-27-72(63)90-73-25-19-57(77-51(9)32-45(3)33-52(77)10)38-66(73)67-39-58(20-26-74(67)90)78-53(11)34-46(4)35-54(78)12/h13-41H,1-12H3
InChIKeyMWIYVZWVVFRRDJ-UHFFFAOYSA-N
XLogP23.49
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.42
LogP ≤ 523.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499773
3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 159108679
4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498871
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]-1-(trifluoromethyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499008
4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)-6-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 138499563
4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
CID 138749756
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499069
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499639
4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 161215511
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500039
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 138499437
4-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138499420

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (CID 138499579) is 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(C#N)c(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)ccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1.
What is the InChIKey of 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is MWIYVZWVVFRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H65F6N3/c1-43-28-47(5)75(48(6)29-43)55-17-23-70-64(36-55)65-37-56(76-49(7)30-44(2)31-50(76)8)18-24-71(65)89(70)61-22-16-60(42-88)62(41-61)63-40-59(79-68(80(82,83)84)14-13-15-69(79)81(85,86)87)21-27-72(63)90-73-25-19-57(77-51(9)32-45(3)33-52(77)10)38-66(73)67-39-58(20-26-74(67)90)78-53(11)34-46(4)35-54(78)12/h13-41H,1-12H3.
What are the key properties of 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 1194.42 g/mol, XLogP of 23.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138499579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).