2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile

C77H47N7 — CID 170664965

IUPAC2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc3C#N)n2)c1
InChIInChI=1S/C77H47N7/c78-48-50-17-16-28-60(41-50)64-36-35-63(84-73-39-32-58(53-22-10-3-11-23-53)44-68(73)69-45-59(33-40-74(69)84)54-24-12-4-13-25-54)47-70(64)77-81-75(55-26-14-5-15-27-55)80-76(82-77)65-46-62(34-29-61(65)49-79)83-71-37-30-56(51-18-6-1-7-19-51)42-66(71)67-43-57(31-38-72(67)83)52-20-8-2-9-21-52/h1-47H
InChIKeyKLJADVJPYXRXQF-UHFFFAOYSA-N
MW1070.27 g/mol
LogP19.15
Rot. Bonds10

About 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile

2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile (PubChem CID 170664965) has the molecular formula C77H47N7 and a molecular weight of 1070.27 g/mol. Its IUPAC name is 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
PubChem CID170664965
Molecular FormulaC77H47N7
Molecular Weight1070.27 g/mol
Exact Mass1069.39
IUPAC Name2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc3C#N)n2)c1
InChIInChI=1S/C77H47N7/c78-48-50-17-16-28-60(41-50)64-36-35-63(84-73-39-32-58(53-22-10-3-11-23-53)44-68(73)69-45-59(33-40-74(69)84)54-24-12-4-13-25-54)47-70(64)77-81-75(55-26-14-5-15-27-55)80-76(82-77)65-46-62(34-29-61(65)49-79)83-71-37-30-56(51-18-6-1-7-19-51)42-66(71)67-43-57(31-38-72(67)83)52-20-8-2-9-21-52/h1-47H
InChIKeyKLJADVJPYXRXQF-UHFFFAOYSA-N
XLogP19.15
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.27
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile with MolForge

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Related Compounds

3-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 154950393
3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170135742
9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 134513059
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003372
9-[4-[3-[4-(3,6-dicyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 166899538
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139496142
9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 162500533
2-[2-[4-[2-(2-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170135903
2-[2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[5-(3,6-diphenylcarbazol-9-yl)-2-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035621
4-[3-(3-cyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003450
2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 169059832
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile (CID 170664965) is 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile is N#Cc1cccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc3C#N)n2)c1.
What is the InChIKey of 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
The InChIKey is KLJADVJPYXRXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H47N7/c78-48-50-17-16-28-60(41-50)64-36-35-63(84-73-39-32-58(53-22-10-3-11-23-53)44-68(73)69-45-59(33-40-74(69)84)54-24-12-4-13-25-54)47-70(64)77-81-75(55-26-14-5-15-27-55)80-76(82-77)65-46-62(34-29-61(65)49-79)83-71-37-30-56(51-18-6-1-7-19-51)42-66(71)67-43-57(31-38-72(67)83)52-20-8-2-9-21-52/h1-47H.
What are the key properties of 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile has a molecular weight of 1070.27 g/mol, XLogP of 19.15, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 170664965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).