2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile

C70H42N8 — CID 163638395

IUPAC2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccnc2)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C70H42N8/c71-42-49-22-7-9-25-52(49)47-35-37-62-58(40-47)55-27-11-13-31-60(55)77(62)64-33-15-29-54(51-24-17-39-73-44-51)66(64)67-57(70-75-68(45-18-3-1-4-19-45)74-69(76-70)46-20-5-2-6-21-46)30-16-34-65(67)78-61-32-14-12-28-56(61)59-41-48(36-38-63(59)78)53-26-10-8-23-50(53)43-72/h1-41,44H
InChIKeyICDUCEUSGSNSTJ-UHFFFAOYSA-N
MW995.16 g/mol
LogP16.87
Rot. Bonds9

About 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile

2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile (PubChem CID 163638395) has the molecular formula C70H42N8 and a molecular weight of 995.16 g/mol. Its IUPAC name is 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile
PubChem CID163638395
Molecular FormulaC70H42N8
Molecular Weight995.16 g/mol
Exact Mass994.35
IUPAC Name2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccnc2)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C70H42N8/c71-42-49-22-7-9-25-52(49)47-35-37-62-58(40-47)55-27-11-13-31-60(55)77(62)64-33-15-29-54(51-24-17-39-73-44-51)66(64)67-57(70-75-68(45-18-3-1-4-19-45)74-69(76-70)46-20-5-2-6-21-46)30-16-34-65(67)78-61-32-14-12-28-56(61)59-41-48(36-38-63(59)78)53-26-10-8-23-50(53)43-72/h1-41,44H
InChIKeyICDUCEUSGSNSTJ-UHFFFAOYSA-N
XLogP16.87
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.16
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3,6-di(carbazol-9-yl)-9-[2-[5-[4-[3-[9-[9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-pyridin-3-ylphenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-pyridin-3-ylphenyl]carbazole
CID 138663312
3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495063
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170172
2-[9-[4-(2-cyanophenyl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 139496015
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159
2-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544225
2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357625
2-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495747
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155232661
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
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170665019

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile (CID 163638395) is 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccnc2)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21.
What is the InChIKey of 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile?
The InChIKey is ICDUCEUSGSNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N8/c71-42-49-22-7-9-25-52(49)47-35-37-62-58(40-47)55-27-11-13-31-60(55)77(62)64-33-15-29-54(51-24-17-39-73-44-51)66(64)67-57(70-75-68(45-18-3-1-4-19-45)74-69(76-70)46-20-5-2-6-21-46)30-16-34-65(67)78-61-32-14-12-28-56(61)59-41-48(36-38-63(59)78)53-26-10-8-23-50(53)43-72/h1-41,44H.
What are the key properties of 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile?
2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile has a molecular weight of 995.16 g/mol, XLogP of 16.87, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 163638395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).