4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile

C77H53N17 — CID 139438027

IUPAC4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4cc(Cc5nc(C)nc(-c6cc(-c7nc(C)nc(C)n7)ccc6-n6c7ccccc7c7cc(-c8ccc(C#N)cc8)ccc76)n5)c(-c5ccc(C#N)cc5)cc43)c(-c3nc(C)nc(C)n3)c2)n1
InChIInChI=1S/C77H53N17/c1-42-81-43(2)86-74(85-42)57-27-31-70(65(33-57)76-89-46(5)83-47(6)90-76)94-71-36-56(53-20-14-50(40-79)15-21-53)24-28-61(71)64-35-59(62(38-72(64)94)54-22-16-51(41-80)17-23-54)37-73-84-48(7)91-77(92-73)66-34-58(75-87-44(3)82-45(4)88-75)26-30-69(66)93-67-11-9-8-10-60(67)63-32-55(25-29-68(63)93)52-18-12-49(39-78)13-19-52/h8-36,38H,37H2,1-7H3
InChIKeyHMKOQPNMUUGLKP-UHFFFAOYSA-N
MW1216.39 g/mol
LogP15.65
Rot. Bonds11

About 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile

4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile (PubChem CID 139438027) has the molecular formula C77H53N17 and a molecular weight of 1216.39 g/mol. Its IUPAC name is 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
PubChem CID139438027
Molecular FormulaC77H53N17
Molecular Weight1216.39 g/mol
Exact Mass1215.47
IUPAC Name4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4cc(Cc5nc(C)nc(-c6cc(-c7nc(C)nc(C)n7)ccc6-n6c7ccccc7c7cc(-c8ccc(C#N)cc8)ccc76)n5)c(-c5ccc(C#N)cc5)cc43)c(-c3nc(C)nc(C)n3)c2)n1
InChIInChI=1S/C77H53N17/c1-42-81-43(2)86-74(85-42)57-27-31-70(65(33-57)76-89-46(5)83-47(6)90-76)94-71-36-56(53-20-14-50(40-79)15-21-53)24-28-61(71)64-35-59(62(38-72(64)94)54-22-16-51(41-80)17-23-54)37-73-84-48(7)91-77(92-73)66-34-58(75-87-44(3)82-45(4)88-75)26-30-69(66)93-67-11-9-8-10-60(67)63-32-55(25-29-68(63)93)52-18-12-49(39-78)13-19-52/h8-36,38H,37H2,1-7H3
InChIKeyHMKOQPNMUUGLKP-UHFFFAOYSA-N
XLogP15.65
TPSA235.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.39
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile with MolForge

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Related Compounds

3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421368
2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137420905
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577639
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazol-3-yl]benzonitrile
CID 138579032
4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232240
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
4-[9-[2-[3-[2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 162500780
5-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137414622
4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139496044

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile (CID 139438027) is 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile is Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4cc(Cc5nc(C)nc(-c6cc(-c7nc(C)nc(C)n7)ccc6-n6c7ccccc7c7cc(-c8ccc(C#N)cc8)ccc76)n5)c(-c5ccc(C#N)cc5)cc43)c(-c3nc(C)nc(C)n3)c2)n1.
What is the InChIKey of 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
The InChIKey is HMKOQPNMUUGLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H53N17/c1-42-81-43(2)86-74(85-42)57-27-31-70(65(33-57)76-89-46(5)83-47(6)90-76)94-71-36-56(53-20-14-50(40-79)15-21-53)24-28-61(71)64-35-59(62(38-72(64)94)54-22-16-51(41-80)17-23-54)37-73-84-48(7)91-77(92-73)66-34-58(75-87-44(3)82-45(4)88-75)26-30-69(66)93-67-11-9-8-10-60(67)63-32-55(25-29-68(63)93)52-18-12-49(39-78)13-19-52/h8-36,38H,37H2,1-7H3.
What are the key properties of 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile has a molecular weight of 1216.39 g/mol, XLogP of 15.65, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 139438027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).