4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

C88H48N10 — CID 130193086

IUPAC4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4c(C#N)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4C#N)ccc32)cc1C#N
InChIInChI=1S/C88H48N10/c89-49-54-47-82(93-70-33-11-1-22-57(70)58-23-2-12-34-71(58)93)83(48-55(54)50-90)94-72-35-13-9-30-65(72)67-46-53(44-45-80(67)94)56-32-21-43-81-84(56)66-31-10-20-42-79(66)98(81)85-68(51-91)86(95-73-36-14-3-24-59(73)60-25-4-15-37-74(60)95)88(97-77-40-18-7-28-63(77)64-29-8-19-41-78(64)97)87(69(85)52-92)96-75-38-16-5-26-61(75)62-27-6-17-39-76(62)96/h1-48H
InChIKeyMEEDOAQQEKXMDX-UHFFFAOYSA-N
MW1245.42 g/mol
LogP21.42
Rot. Bonds7

About 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 130193086) has the molecular formula C88H48N10 and a molecular weight of 1245.42 g/mol. Its IUPAC name is 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
PubChem CID130193086
Molecular FormulaC88H48N10
Molecular Weight1245.42 g/mol
Exact Mass1244.41
IUPAC Name4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4c(C#N)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4C#N)ccc32)cc1C#N
InChIInChI=1S/C88H48N10/c89-49-54-47-82(93-70-33-11-1-22-57(70)58-23-2-12-34-71(58)93)83(48-55(54)50-90)94-72-35-13-9-30-65(72)67-46-53(44-45-80(67)94)56-32-21-43-81-84(56)66-31-10-20-42-79(66)98(81)85-68(51-91)86(95-73-36-14-3-24-59(73)60-25-4-15-37-74(60)95)88(97-77-40-18-7-28-63(77)64-29-8-19-41-78(64)97)87(69(85)52-92)96-75-38-16-5-26-61(75)62-27-6-17-39-76(62)96/h1-48H
InChIKeyMEEDOAQQEKXMDX-UHFFFAOYSA-N
XLogP21.42
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.42
LogP ≤ 521.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
2-methyl-3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414448
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-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
2,4,6-tri(carbazol-9-yl)-5-(3-phenanthren-4-yl-[1]benzothiolo[2,3-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 167282558
9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole
CID 140923110

Frequently Asked Questions

What is the IUPAC name of 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (CID 130193086) is 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4c(C#N)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c4C#N)ccc32)cc1C#N.
What is the InChIKey of 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The InChIKey is MEEDOAQQEKXMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H48N10/c89-49-54-47-82(93-70-33-11-1-22-57(70)58-23-2-12-34-71(58)93)83(48-55(54)50-90)94-72-35-13-9-30-65(72)67-46-53(44-45-80(67)94)56-32-21-43-81-84(56)66-31-10-20-42-79(66)98(81)85-68(51-91)86(95-73-36-14-3-24-59(73)60-25-4-15-37-74(60)95)88(97-77-40-18-7-28-63(77)64-29-8-19-41-78(64)97)87(69(85)52-92)96-75-38-16-5-26-61(75)62-27-6-17-39-76(62)96/h1-48H.
What are the key properties of 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1245.42 g/mol, XLogP of 21.42, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 130193086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).