2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile

C64H42N8 — CID 169060022

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile
SMILESN#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)cccc1N1c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C64H42N8/c65-43-51-49(30-21-39-52(51)71-57-35-17-13-31-53(57)69(47-26-9-3-10-27-47)54-32-14-18-36-58(54)71)46-40-41-50(64-67-62(44-22-5-1-6-23-44)66-63(68-64)45-24-7-2-8-25-45)61(42-46)72-59-37-19-15-33-55(59)70(48-28-11-4-12-29-48)56-34-16-20-38-60(56)72/h1-42H
InChIKeyVYWLYTKFIWVLBT-UHFFFAOYSA-N
MW923.10 g/mol
LogP16.92
Rot. Bonds8

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile (PubChem CID 169060022) has the molecular formula C64H42N8 and a molecular weight of 923.10 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile
PubChem CID169060022
Molecular FormulaC64H42N8
Molecular Weight923.10 g/mol
Exact Mass922.35
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile
SMILESN#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)cccc1N1c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C64H42N8/c65-43-51-49(30-21-39-52(51)71-57-35-17-13-31-53(57)69(47-26-9-3-10-27-47)54-32-14-18-36-58(54)71)46-40-41-50(64-67-62(44-22-5-1-6-23-44)66-63(68-64)45-24-7-2-8-25-45)61(42-46)72-59-37-19-15-33-55(59)70(48-28-11-4-12-29-48)56-34-16-20-38-60(56)72/h1-42H
InChIKeyVYWLYTKFIWVLBT-UHFFFAOYSA-N
XLogP16.92
TPSA75.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.10
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile
CID 163742751
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenazine
CID 59194569
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169296947
2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263896
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-phenoxazin-10-ylphenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170133824
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059992
10-[5-(2,6-diphenylpyrimidin-4-yl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenoxazin-10-ylphenyl]phenyl]-4-[4-[10-[5-(4,6-diphenylpyrimidin-2-yl)-2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(10-phenylphenazin-5-yl)phenyl]phenyl]phenazin-5-yl]phenyl]phenoxazine
CID 129302367
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
6-[3-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543496
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8,12-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170183676

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile (CID 169060022) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile is N#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)cccc1N1c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile?
The InChIKey is VYWLYTKFIWVLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N8/c65-43-51-49(30-21-39-52(51)71-57-35-17-13-31-53(57)69(47-26-9-3-10-27-47)54-32-14-18-36-58(54)71)46-40-41-50(64-67-62(44-22-5-1-6-23-44)66-63(68-64)45-24-7-2-8-25-45)61(42-46)72-59-37-19-15-33-55(59)70(48-28-11-4-12-29-48)56-34-16-20-38-60(56)72/h1-42H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile has a molecular weight of 923.10 g/mol, XLogP of 16.92, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile is sourced from PubChem (CID 169060022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).