3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile

C252H144N32 — CID 159022948

IUPAC3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc([N+]#[C-])cc7)cc65)c4-c4nc(C)cc(C)n4)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2nc(C)cc(C)n2)c1
InChIInChI=1S/2C65H37N9.2C61H35N7/c1-39-29-40(2)72-65(71-39)64-62(73-58-32-48(44-9-5-41(36-66)6-10-44)17-25-54(58)56-27-19-50(34-60(56)73)46-13-21-52(69-3)22-14-46)30-43(38-68)31-63(64)74-59-33-49(45-11-7-42(37-67)8-12-45)18-26-55(59)57-28-20-51(35-61(57)74)47-15-23-53(70-4)24-16-47;1-39-24-40(2)72-65(71-39)64-62(73-58-20-16-49(45-11-4-8-41(25-45)35-66)31-54(58)55-32-50(17-21-59(55)73)46-12-5-9-42(26-46)36-67)28-44(38-69)29-63(64)74-60-22-18-51(47-13-6-10-43(27-47)37-68)33-56(60)57-34-52(19-23-61(57)74)48-14-7-15-53(30-48)70-3;1-64-47-28-24-42(25-29-47)46-27-31-57-51(35-46)49-17-9-11-19-55(49)68(57)59-33-40(38-63)32-58(60(59)61-65-52(43-12-4-2-5-13-43)36-53(66-61)44-14-6-3-7-15-44)67-54-18-10-8-16-48(54)50-34-45(26-30-56(50)67)41-22-20-39(37-62)21-23-41;1-64-47-28-24-42(25-29-47)46-27-31-51-49-17-9-11-19-55(49)68(57(51)35-46)59-33-40(38-63)32-58(60(59)61-65-52(43-12-4-2-5-13-43)36-53(66-61)44-14-6-3-7-15-44)67-54-18-10-8-16-48(54)50-30-26-45(34-56(50)67)41-22-20-39(37-62)21-23-41/h5-35H,1-2H3;4-34H,1-2H3;2*2-36H
InChIKeyJTXSGIMGXRAIDU-UHFFFAOYSA-N
MW3620.15 g/mol
LogP62.60
Rot. Bonds28

About 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile

3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile (PubChem CID 159022948) has the molecular formula C252H144N32 and a molecular weight of 3620.15 g/mol. Its IUPAC name is 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
PubChem CID159022948
Molecular FormulaC252H144N32
Molecular Weight3620.15 g/mol
Exact Mass3617.23
IUPAC Name3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc([N+]#[C-])cc7)cc65)c4-c4nc(C)cc(C)n4)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2nc(C)cc(C)n2)c1
InChIInChI=1S/2C65H37N9.2C61H35N7/c1-39-29-40(2)72-65(71-39)64-62(73-58-32-48(44-9-5-41(36-66)6-10-44)17-25-54(58)56-27-19-50(34-60(56)73)46-13-21-52(69-3)22-14-46)30-43(38-68)31-63(64)74-59-33-49(45-11-7-42(37-67)8-12-45)18-26-55(59)57-28-20-51(35-61(57)74)47-15-23-53(70-4)24-16-47;1-39-24-40(2)72-65(71-39)64-62(73-58-20-16-49(45-11-4-8-41(25-45)35-66)31-54(58)55-32-50(17-21-59(55)73)46-12-5-9-42(26-46)36-67)28-44(38-69)29-63(64)74-60-22-18-51(47-13-6-10-43(27-47)37-68)33-56(60)57-34-52(19-23-61(57)74)48-14-7-15-53(30-48)70-3;1-64-47-28-24-42(25-29-47)46-27-31-57-51(35-46)49-17-9-11-19-55(49)68(57)59-33-40(38-63)32-58(60(59)61-65-52(43-12-4-2-5-13-43)36-53(66-61)44-14-6-3-7-15-44)67-54-18-10-8-16-48(54)50-34-45(26-30-56(50)67)41-22-20-39(37-62)21-23-41;1-64-47-28-24-42(25-29-47)46-27-31-51-49-17-9-11-19-55(49)68(57(51)35-46)59-33-40(38-63)32-58(60(59)61-65-52(43-12-4-2-5-13-43)36-53(66-61)44-14-6-3-7-15-44)67-54-18-10-8-16-48(54)50-30-26-45(34-56(50)67)41-22-20-39(37-62)21-23-41/h5-35H,1-2H3;4-34H,1-2H3;2*2-36H
InChIKeyJTXSGIMGXRAIDU-UHFFFAOYSA-N
XLogP62.60
TPSA426.05 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003620.15
LogP ≤ 562.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

3,5-bis[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 158785105
4-[9-[2-[2,7-bis(4-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethylpyrimidin-2-yl)-4-isocyanophenyl]-7-(4-isocyanophenyl)carbazol-2-yl]benzonitrile;4-[9-[2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]carbazol-3-yl]benzonitrile;4-[9-[5-(4,6-dimethylpyrimidin-2-yl)-4-isocyano-2-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzonitrile
CID 160689550
3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-dimethylpyrimidin-2-yl)phenyl]-2,7-bis(3-cyanophenyl)carbazol-3-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217452
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 161096795
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 162119976
4-(3-cyano-5-methylphenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 160512308
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-5-[3-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile
CID 159127545
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile;4-(4,6-dimethylpyrimidin-2-yl)-3,5-bis[3-(4-methylphenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenylpyrimidin-2-yl)-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 157496712
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140846724
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386
3-[5-(4,6-diphenylpyrimidin-2-yl)-3-(3-isocyanophenyl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 155656612
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile (CID 159022948) is 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile is [C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc([N+]#[C-])cc7)cc65)c4-c4nc(C)cc(C)n4)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2nc(C)cc(C)n2)c1.
What is the InChIKey of 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
The InChIKey is JTXSGIMGXRAIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H37N9.2C61H35N7/c1-39-29-40(2)72-65(71-39)64-62(73-58-32-48(44-9-5-41(36-66)6-10-44)17-25-54(58)56-27-19-50(34-60(56)73)46-13-21-52(69-3)22-14-46)30-43(38-68)31-63(64)74-59-33-49(45-11-7-42(37-67)8-12-45)18-26-55(59)57-28-20-51(35-61(57)74)47-15-23-53(70-4)24-16-47;1-39-24-40(2)72-65(71-39)64-62(73-58-20-16-49(45-11-4-8-41(25-45)35-66)31-54(58)55-32-50(17-21-59(55)73)46-12-5-9-42(26-46)36-67)28-44(38-69)29-63(64)74-60-22-18-51(47-13-6-10-43(27-47)37-68)33-56(60)57-34-52(19-23-61(57)74)48-14-7-15-53(30-48)70-3;1-64-47-28-24-42(25-29-47)46-27-31-57-51(35-46)49-17-9-11-19-55(49)68(57)59-33-40(38-63)32-58(60(59)61-65-52(43-12-4-2-5-13-43)36-53(66-61)44-14-6-3-7-15-44)67-54-18-10-8-16-48(54)50-34-45(26-30-56(50)67)41-22-20-39(37-62)21-23-41;1-64-47-28-24-42(25-29-47)46-27-31-51-49-17-9-11-19-55(49)68(57(51)35-46)59-33-40(38-63)32-58(60(59)61-65-52(43-12-4-2-5-13-43)36-53(66-61)44-14-6-3-7-15-44)67-54-18-10-8-16-48(54)50-30-26-45(34-56(50)67)41-22-20-39(37-62)21-23-41/h5-35H,1-2H3;4-34H,1-2H3;2*2-36H.
What are the key properties of 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile has a molecular weight of 3620.15 g/mol, XLogP of 62.60, 28 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 159022948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).