3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile

C82H50N8 — CID 139496244

IUPAC3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/C82H50N8/c83-51-52-22-21-27-55(44-52)64-45-56(40-42-74(64)89-72-38-19-15-34-62(72)68-47-66-60-32-13-17-36-70(60)87(76(66)49-78(68)89)58-28-9-3-10-29-58)65-46-57(82-85-80(53-23-5-1-6-24-53)84-81(86-82)54-25-7-2-8-26-54)41-43-75(65)90-73-39-20-16-35-63(73)69-48-67-61-33-14-18-37-71(61)88(77(67)50-79(69)90)59-30-11-4-12-31-59/h1-50H
InChIKeyXLTRQVGEAJZIIO-UHFFFAOYSA-N
MW1147.36 g/mol
LogP20.47
Rot. Bonds9

About 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile

3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile (PubChem CID 139496244) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
PubChem CID139496244
Molecular FormulaC82H50N8
Molecular Weight1147.36 g/mol
Exact Mass1146.42
IUPAC Name3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/C82H50N8/c83-51-52-22-21-27-55(44-52)64-45-56(40-42-74(64)89-72-38-19-15-34-62(72)68-47-66-60-32-13-17-36-70(60)87(76(66)49-78(68)89)58-28-9-3-10-29-58)65-46-57(82-85-80(53-23-5-1-6-24-53)84-81(86-82)54-25-7-2-8-26-54)41-43-75(65)90-73-39-20-16-35-63(73)69-48-67-61-33-14-18-37-71(61)88(77(67)50-79(69)90)59-30-11-4-12-31-59/h1-50H
InChIKeyXLTRQVGEAJZIIO-UHFFFAOYSA-N
XLogP20.47
TPSA82.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.36
LogP ≤ 520.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 147991874
3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 138515729
9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 139496004
3-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421286
4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 153432288
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
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
5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155232984
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267943
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile?
The IUPAC name of 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile (CID 139496244) is 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.
What is the InChIKey of 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile?
The InChIKey is XLTRQVGEAJZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8/c83-51-52-22-21-27-55(44-52)64-45-56(40-42-74(64)89-72-38-19-15-34-62(72)68-47-66-60-32-13-17-36-70(60)87(76(66)49-78(68)89)58-28-9-3-10-29-58)65-46-57(82-85-80(53-23-5-1-6-24-53)84-81(86-82)54-25-7-2-8-26-54)41-43-75(65)90-73-39-20-16-35-63(73)69-48-67-61-33-14-18-37-71(61)88(77(67)50-79(69)90)59-30-11-4-12-31-59/h1-50H.
What are the key properties of 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile?
3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile has a molecular weight of 1147.36 g/mol, XLogP of 20.47, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile is sourced from PubChem (CID 139496244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).