3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile

C256H200F12N12 — CID 159918160

IUPAC3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5ccc(-c6cc(C)cc(C(F)(F)F)c6)cc54)c3c2)c1
InChIInChI=1S/2C74H65N3.C54H32F9N3.C54H38F3N3/c1-41-25-46(6)71(47(7)26-41)56-17-21-65-61(35-56)62-36-57(72-48(8)27-42(2)28-49(72)9)18-22-66(62)76(65)69-33-45(5)60(55-16-14-15-54(34-55)40-75)39-70(69)77-67-23-19-58(73-50(10)29-43(3)30-51(73)11)37-63(67)64-38-59(20-24-68(64)77)74-52(12)31-44(4)32-53(74)13;1-41-25-46(6)71(47(7)26-41)56-17-21-60-61-22-18-57(72-48(8)27-42(2)28-49(72)9)36-66(61)76(65(60)35-56)69-33-45(5)64(55-16-14-15-54(34-55)40-75)39-70(69)77-67-37-58(73-50(10)29-43(3)30-51(73)11)19-23-62(67)63-24-20-59(38-68(63)77)74-52(12)31-44(4)32-53(74)13;1-30-18-36(22-38(19-30)52(55,56)57)33-14-16-48-44(25-33)41-10-3-5-12-46(41)65(48)50-20-31(2)43(35-9-7-8-32(21-35)29-64)28-51(50)66-47-13-6-4-11-42(47)45-26-34(15-17-49(45)66)37-23-39(53(58,59)60)27-40(24-37)54(61,62)63;1-32-20-33(2)22-40(21-32)37-16-18-45-43-12-5-7-14-48(43)59(50(45)28-37)52-25-35(4)47(39-11-9-10-36(26-39)31-58)30-53(52)60-49-15-8-6-13-44(49)46-19-17-38(29-51(46)60)41-23-34(3)24-42(27-41)54(55,56)57/h2*14-39H,1-13H3;3-28H,1-2H3;5-30H,1-4H3
InChIKeyNYBAWEGKYLGSMC-UHFFFAOYSA-N
MW3672.48 g/mol
LogP71.63
Rot. Bonds24

About 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile

3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 159918160) has the molecular formula C256H200F12N12 and a molecular weight of 3672.48 g/mol. Its IUPAC name is 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
PubChem CID159918160
Molecular FormulaC256H200F12N12
Molecular Weight3672.48 g/mol
Exact Mass3669.58
IUPAC Name3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5ccc(-c6cc(C)cc(C(F)(F)F)c6)cc54)c3c2)c1
InChIInChI=1S/2C74H65N3.C54H32F9N3.C54H38F3N3/c1-41-25-46(6)71(47(7)26-41)56-17-21-65-61(35-56)62-36-57(72-48(8)27-42(2)28-49(72)9)18-22-66(62)76(65)69-33-45(5)60(55-16-14-15-54(34-55)40-75)39-70(69)77-67-23-19-58(73-50(10)29-43(3)30-51(73)11)37-63(67)64-38-59(20-24-68(64)77)74-52(12)31-44(4)32-53(74)13;1-41-25-46(6)71(47(7)26-41)56-17-21-60-61-22-18-57(72-48(8)27-42(2)28-49(72)9)36-66(61)76(65(60)35-56)69-33-45(5)64(55-16-14-15-54(34-55)40-75)39-70(69)77-67-37-58(73-50(10)29-43(3)30-51(73)11)19-23-62(67)63-24-20-59(38-68(63)77)74-52(12)31-44(4)32-53(74)13;1-30-18-36(22-38(19-30)52(55,56)57)33-14-16-48-44(25-33)41-10-3-5-12-46(41)65(48)50-20-31(2)43(35-9-7-8-32(21-35)29-64)28-51(50)66-47-13-6-4-11-42(47)45-26-34(15-17-49(45)66)37-23-39(53(58,59)60)27-40(24-37)54(61,62)63;1-32-20-33(2)22-40(21-32)37-16-18-45-43-12-5-7-14-48(43)59(50(45)28-37)52-25-35(4)47(39-11-9-10-36(26-39)31-58)30-53(52)60-49-15-8-6-13-44(49)46-19-17-38(29-51(46)60)41-23-34(3)24-42(27-41)54(55,56)57/h2*14-39H,1-13H3;3-28H,1-2H3;5-30H,1-4H3
InChIKeyNYBAWEGKYLGSMC-UHFFFAOYSA-N
XLogP71.63
TPSA134.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003672.48
LogP ≤ 571.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile (CID 159918160) is 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5ccc(-c6cc(C)cc(C(F)(F)F)c6)cc54)c3c2)c1.
What is the InChIKey of 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is NYBAWEGKYLGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C74H65N3.C54H32F9N3.C54H38F3N3/c1-41-25-46(6)71(47(7)26-41)56-17-21-65-61(35-56)62-36-57(72-48(8)27-42(2)28-49(72)9)18-22-66(62)76(65)69-33-45(5)60(55-16-14-15-54(34-55)40-75)39-70(69)77-67-23-19-58(73-50(10)29-43(3)30-51(73)11)37-63(67)64-38-59(20-24-68(64)77)74-52(12)31-44(4)32-53(74)13;1-41-25-46(6)71(47(7)26-41)56-17-21-60-61-22-18-57(72-48(8)27-42(2)28-49(72)9)36-66(61)76(65(60)35-56)69-33-45(5)64(55-16-14-15-54(34-55)40-75)39-70(69)77-67-37-58(73-50(10)29-43(3)30-51(73)11)19-23-62(67)63-24-20-59(38-68(63)77)74-52(12)31-44(4)32-53(74)13;1-30-18-36(22-38(19-30)52(55,56)57)33-14-16-48-44(25-33)41-10-3-5-12-46(41)65(48)50-20-31(2)43(35-9-7-8-32(21-35)29-64)28-51(50)66-47-13-6-4-11-42(47)45-26-34(15-17-49(45)66)37-23-39(53(58,59)60)27-40(24-37)54(61,62)63;1-32-20-33(2)22-40(21-32)37-16-18-45-43-12-5-7-14-48(43)59(50(45)28-37)52-25-35(4)47(39-11-9-10-36(26-39)31-58)30-53(52)60-49-15-8-6-13-44(49)46-19-17-38(29-51(46)60)41-23-34(3)24-42(27-41)54(55,56)57/h2*14-39H,1-13H3;3-28H,1-2H3;5-30H,1-4H3.
What are the key properties of 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?
3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 3672.48 g/mol, XLogP of 71.63, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 159918160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).