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

C65H51F6N3 — CID 138498861

IUPAC3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile
SMILESCc1ccc(-c2ccc(N(C)c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3-c3ccc(C#N)cc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c(C)c2)c(C)c1
InChIInChI=1S/C65H51F6N3/c1-37-9-18-50(40(4)27-37)45-13-23-59(43(7)30-45)73(8)60-24-14-48(53-22-17-49(64(66,67)68)35-58(53)65(69,70)71)34-55(60)54-21-12-44(36-72)31-63(54)74-61-25-15-46(51-19-10-38(2)28-41(51)5)32-56(61)57-33-47(16-26-62(57)74)52-20-11-39(3)29-42(52)6/h9-35H,1-8H3
InChIKeyVHKKPMQLXLNEFX-UHFFFAOYSA-N
MW988.13 g/mol
LogP18.95
Rot. Bonds8

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

3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile (PubChem CID 138498861) has the molecular formula C65H51F6N3 and a molecular weight of 988.13 g/mol. Its IUPAC name is 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile
PubChem CID138498861
Molecular FormulaC65H51F6N3
Molecular Weight988.13 g/mol
Exact Mass987.40
IUPAC Name3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile
SMILESCc1ccc(-c2ccc(N(C)c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3-c3ccc(C#N)cc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c(C)c2)c(C)c1
InChIInChI=1S/C65H51F6N3/c1-37-9-18-50(40(4)27-37)45-13-23-59(43(7)30-45)73(8)60-24-14-48(53-22-17-49(64(66,67)68)35-58(53)65(69,70)71)34-55(60)54-21-12-44(36-72)31-63(54)74-61-25-15-46(51-19-10-38(2)28-41(51)5)32-56(61)57-33-47(16-26-62(57)74)52-20-11-39(3)29-42(52)6/h9-35H,1-8H3
InChIKeyVHKKPMQLXLNEFX-UHFFFAOYSA-N
XLogP18.95
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.13
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499304
3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498831
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 138499140
3-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 139526121
3-[5-(2-isocyano-4-methylphenyl)-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158135344
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[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402136
3-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 159719809
4-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499206
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499401
3-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499143
3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499504

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile?
The IUPAC name of 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile (CID 138498861) is 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile.
What is the SMILES notation for 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile?
The canonical SMILES for 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile is Cc1ccc(-c2ccc(N(C)c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3-c3ccc(C#N)cc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c(C)c2)c(C)c1.
What is the InChIKey of 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile?
The InChIKey is VHKKPMQLXLNEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51F6N3/c1-37-9-18-50(40(4)27-37)45-13-23-59(43(7)30-45)73(8)60-24-14-48(53-22-17-49(64(66,67)68)35-58(53)65(69,70)71)34-55(60)54-21-12-44(36-72)31-63(54)74-61-25-15-46(51-19-10-38(2)28-41(51)5)32-56(61)57-33-47(16-26-62(57)74)52-20-11-39(3)29-42(52)6/h9-35H,1-8H3.
What are the key properties of 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile?
3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile has a molecular weight of 988.13 g/mol, XLogP of 18.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(2,4-dimethylphenyl)-N,2-dimethylanilino]phenyl]benzonitrile is sourced from PubChem (CID 138498861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).