5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C53H30N8 — CID 170444631

IUPAC5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c(C#N)c3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C53H30N8/c54-31-33-13-12-14-34(29-33)51-56-52(58-53(57-51)61-45-22-9-4-17-38(45)39-18-5-10-23-46(39)61)35-25-27-43(36(30-35)32-55)60-44-21-8-6-19-40(44)41-26-28-48-49(50(41)60)42-20-7-11-24-47(42)59(48)37-15-2-1-3-16-37/h1-30H
InChIKeyFVHUFGQSVPVTTA-UHFFFAOYSA-N
MW778.88 g/mol
LogP12.24
Rot. Bonds5

About 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 170444631) has the molecular formula C53H30N8 and a molecular weight of 778.88 g/mol. Its IUPAC name is 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID170444631
Molecular FormulaC53H30N8
Molecular Weight778.88 g/mol
Exact Mass778.26
IUPAC Name5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c(C#N)c3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C53H30N8/c54-31-33-13-12-14-34(29-33)51-56-52(58-53(57-51)61-45-22-9-4-17-38(45)39-18-5-10-23-46(39)61)35-25-27-43(36(30-35)32-55)60-44-21-8-6-19-40(44)41-26-28-48-49(50(41)60)42-20-7-11-24-47(42)59(48)37-15-2-1-3-16-37/h1-30H
InChIKeyFVHUFGQSVPVTTA-UHFFFAOYSA-N
XLogP12.24
TPSA101.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.88
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 163238684
5-[4-(3,6-dimethylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170444565
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 170268524
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163795188
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170447156
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 170268316
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170444642
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
4-[4-[5-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664741
3-[3-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5,6-diphenylpyrazine-2-carbonitrile
CID 167011869

Frequently Asked Questions

What is the IUPAC name of 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 170444631) is 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c(C#N)c3)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is FVHUFGQSVPVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N8/c54-31-33-13-12-14-34(29-33)51-56-52(58-53(57-51)61-45-22-9-4-17-38(45)39-18-5-10-23-46(39)61)35-25-27-43(36(30-35)32-55)60-44-21-8-6-19-40(44)41-26-28-48-49(50(41)60)42-20-7-11-24-47(42)59(48)37-15-2-1-3-16-37/h1-30H.
What are the key properties of 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 778.88 g/mol, XLogP of 12.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 170444631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).