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

C174H122F9N9 — CID 157403628

IUPAC2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3ccccc3C(F)(F)F)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)cc2C#N)cc1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1
InChIInChI=1S/C66H46F3N3.2C54H38F3N3/c1-40-9-17-44(18-10-40)48-25-29-60-54(33-48)55-34-49(45-19-11-41(2)12-20-45)26-30-61(55)71(60)64-38-58(53-7-5-6-8-59(53)66(67,68)69)65(37-52(64)39-70)72-62-31-27-50(46-21-13-42(3)14-22-46)35-56(62)57-36-51(28-32-63(57)72)47-23-15-43(4)16-24-47;1-32-17-21-39(34(3)25-32)36-19-23-50-44(27-36)42-12-6-9-15-48(42)59(50)52-30-46(41-11-5-8-14-47(41)54(55,56)57)53(29-38(52)31-58)60-49-16-10-7-13-43(49)45-28-37(20-24-51(45)60)40-22-18-33(2)26-35(40)4;1-32-17-21-39(34(3)25-32)36-19-23-44-42-12-6-9-15-48(42)59(51(44)27-36)50-30-46(41-11-5-8-14-47(41)54(55,56)57)53(29-38(50)31-58)60-49-16-10-7-13-43(49)45-24-20-37(28-52(45)60)40-22-18-33(2)26-35(40)4/h5-38H,1-4H3;2*5-30H,1-4H3
InChIKeyBNLPEJASCWPMNK-UHFFFAOYSA-N
MW2509.93 g/mol
LogP48.35
Rot. Bonds17

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

2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 157403628) has the molecular formula C174H122F9N9 and a molecular weight of 2509.93 g/mol. Its IUPAC name is 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID157403628
Molecular FormulaC174H122F9N9
Molecular Weight2509.93 g/mol
Exact Mass2507.97
IUPAC Name2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3ccccc3C(F)(F)F)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)cc2C#N)cc1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1
InChIInChI=1S/C66H46F3N3.2C54H38F3N3/c1-40-9-17-44(18-10-40)48-25-29-60-54(33-48)55-34-49(45-19-11-41(2)12-20-45)26-30-61(55)71(60)64-38-58(53-7-5-6-8-59(53)66(67,68)69)65(37-52(64)39-70)72-62-31-27-50(46-21-13-42(3)14-22-46)35-56(62)57-36-51(28-32-63(57)72)47-23-15-43(4)16-24-47;1-32-17-21-39(34(3)25-32)36-19-23-50-44(27-36)42-12-6-9-15-48(42)59(50)52-30-46(41-11-5-8-14-47(41)54(55,56)57)53(29-38(52)31-58)60-49-16-10-7-13-43(49)45-28-37(20-24-51(45)60)40-22-18-33(2)26-35(40)4;1-32-17-21-39(34(3)25-32)36-19-23-44-42-12-6-9-15-48(42)59(51(44)27-36)50-30-46(41-11-5-8-14-47(41)54(55,56)57)53(29-38(50)31-58)60-49-16-10-7-13-43(49)45-24-20-37(28-52(45)60)40-22-18-33(2)26-35(40)4/h5-38H,1-4H3;2*5-30H,1-4H3
InChIKeyBNLPEJASCWPMNK-UHFFFAOYSA-N
XLogP48.35
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002509.93
LogP ≤ 548.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 139402009
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 158815524
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
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
4,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386514
4-[2-cyano-6-(trifluoromethyl)phenyl]-3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 137382195
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729264

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 157403628) is 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3ccccc3C(F)(F)F)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)cc2C#N)cc1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1.
What is the InChIKey of 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BNLPEJASCWPMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46F3N3.2C54H38F3N3/c1-40-9-17-44(18-10-40)48-25-29-60-54(33-48)55-34-49(45-19-11-41(2)12-20-45)26-30-61(55)71(60)64-38-58(53-7-5-6-8-59(53)66(67,68)69)65(37-52(64)39-70)72-62-31-27-50(46-21-13-42(3)14-22-46)35-56(62)57-36-51(28-32-63(57)72)47-23-15-43(4)16-24-47;1-32-17-21-39(34(3)25-32)36-19-23-50-44(27-36)42-12-6-9-15-48(42)59(50)52-30-46(41-11-5-8-14-47(41)54(55,56)57)53(29-38(52)31-58)60-49-16-10-7-13-43(49)45-28-37(20-24-51(45)60)40-22-18-33(2)26-35(40)4;1-32-17-21-39(34(3)25-32)36-19-23-44-42-12-6-9-15-48(42)59(51(44)27-36)50-30-46(41-11-5-8-14-47(41)54(55,56)57)53(29-38(50)31-58)60-49-16-10-7-13-43(49)45-24-20-37(28-52(45)60)40-22-18-33(2)26-35(40)4/h5-38H,1-4H3;2*5-30H,1-4H3.
What are the key properties of 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2509.93 g/mol, XLogP of 48.35, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 157403628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).