2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile

C175H127F6N9 — CID 161454396

IUPAC2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(F)cccc3F)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5c(F)cccc5F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5c(F)cccc5F)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1
InChIInChI=1S/C69H53F2N3.2C53H37F2N3/c1-39-12-20-52(43(5)28-39)47-16-24-56-57-25-17-48(53-21-13-40(2)29-44(53)6)33-64(57)73(63(56)32-47)67-36-51(69-61(70)10-9-11-62(69)71)37-68(60(67)38-72)74-65-34-49(54-22-14-41(3)30-45(54)7)18-26-58(65)59-27-19-50(35-66(59)74)55-23-15-42(4)31-46(55)8;1-31-16-20-38(33(3)24-31)35-18-22-49-42(26-35)40-10-5-7-14-47(40)57(49)51-28-37(53-45(54)12-9-13-46(53)55)29-52(44(51)30-56)58-48-15-8-6-11-41(48)43-27-36(19-23-50(43)58)39-21-17-32(2)25-34(39)4;1-31-16-20-38(33(3)24-31)35-18-22-42-40-10-5-7-14-47(40)57(49(42)26-35)51-28-37(53-45(54)12-9-13-46(53)55)29-52(44(51)30-56)58-48-15-8-6-11-41(48)43-23-19-36(27-50(43)58)39-21-17-32(2)25-34(39)4/h9-37H,1-8H3;2*5-29H,1-4H3
InChIKeyWAYOPOPFZJQYQR-UHFFFAOYSA-N
MW2469.99 g/mol
LogP47.36
Rot. Bonds17

About 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile

2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 161454396) has the molecular formula C175H127F6N9 and a molecular weight of 2469.99 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID161454396
Molecular FormulaC175H127F6N9
Molecular Weight2469.99 g/mol
Exact Mass2468.01
IUPAC Name2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(F)cccc3F)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5c(F)cccc5F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5c(F)cccc5F)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1
InChIInChI=1S/C69H53F2N3.2C53H37F2N3/c1-39-12-20-52(43(5)28-39)47-16-24-56-57-25-17-48(53-21-13-40(2)29-44(53)6)33-64(57)73(63(56)32-47)67-36-51(69-61(70)10-9-11-62(69)71)37-68(60(67)38-72)74-65-34-49(54-22-14-41(3)30-45(54)7)18-26-58(65)59-27-19-50(35-66(59)74)55-23-15-42(4)31-46(55)8;1-31-16-20-38(33(3)24-31)35-18-22-49-42(26-35)40-10-5-7-14-47(40)57(49)51-28-37(53-45(54)12-9-13-46(53)55)29-52(44(51)30-56)58-48-15-8-6-11-41(48)43-27-36(19-23-50(43)58)39-21-17-32(2)25-34(39)4;1-31-16-20-38(33(3)24-31)35-18-22-42-40-10-5-7-14-47(40)57(49(42)26-35)51-28-37(53-45(54)12-9-13-46(53)55)29-52(44(51)30-56)58-48-15-8-6-11-41(48)43-23-19-36(27-50(43)58)39-21-17-32(2)25-34(39)4/h9-37H,1-8H3;2*5-29H,1-4H3
InChIKeyWAYOPOPFZJQYQR-UHFFFAOYSA-N
XLogP47.36
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002469.99
LogP ≤ 547.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis[2,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 148504830
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-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 152833052
4-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146982199
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
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 157118113
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
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
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 147225252
2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 162609129

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile (CID 161454396) is 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(F)cccc3F)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5c(F)cccc5F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5c(F)cccc5F)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1.
What is the InChIKey of 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is WAYOPOPFZJQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53F2N3.2C53H37F2N3/c1-39-12-20-52(43(5)28-39)47-16-24-56-57-25-17-48(53-21-13-40(2)29-44(53)6)33-64(57)73(63(56)32-47)67-36-51(69-61(70)10-9-11-62(69)71)37-68(60(67)38-72)74-65-34-49(54-22-14-41(3)30-45(54)7)18-26-58(65)59-27-19-50(35-66(59)74)55-23-15-42(4)31-46(55)8;1-31-16-20-38(33(3)24-31)35-18-22-49-42(26-35)40-10-5-7-14-47(40)57(49)51-28-37(53-45(54)12-9-13-46(53)55)29-52(44(51)30-56)58-48-15-8-6-11-41(48)43-27-36(19-23-50(43)58)39-21-17-32(2)25-34(39)4;1-31-16-20-38(33(3)24-31)35-18-22-42-40-10-5-7-14-47(40)57(49(42)26-35)51-28-37(53-45(54)12-9-13-46(53)55)29-52(44(51)30-56)58-48-15-8-6-11-41(48)43-23-19-36(27-50(43)58)39-21-17-32(2)25-34(39)4/h9-37H,1-8H3;2*5-29H,1-4H3.
What are the key properties of 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 2469.99 g/mol, XLogP of 47.36, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 161454396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).