5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

C182H104N22 — CID 165089602

IUPAC5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/2C61H35N7.C60H34N8/c62-36-39-23-26-58(50(32-39)46-30-40(37-63)29-41(31-46)38-64)68-57-22-12-9-19-49(57)52-33-44(24-27-60(52)68)51-34-45(25-28-59(51)67-55-20-10-7-17-47(55)48-18-8-11-21-56(48)67)54-35-53(42-13-3-1-4-14-42)65-61(66-54)43-15-5-2-6-16-43;62-36-39-23-26-58(50(32-39)46-30-40(37-63)29-41(31-46)38-64)68-57-22-12-9-19-49(57)52-33-44(24-27-60(52)68)51-34-45(25-28-59(51)67-55-20-10-7-17-47(55)48-18-8-11-21-56(48)67)61-65-53(42-13-3-1-4-14-42)35-54(66-61)43-15-5-2-6-16-43;61-35-38-23-26-55(49(32-38)45-30-39(36-62)29-40(31-45)37-63)68-54-22-12-9-19-48(54)51-33-43(24-27-57(51)68)50-34-44(25-28-56(50)67-52-20-10-7-17-46(52)47-18-8-11-21-53(47)67)60-65-58(41-13-3-1-4-14-41)64-59(66-60)42-15-5-2-6-16-42/h2*1-35H;1-34H
InChIKeyWMBOEPJFURLZGM-UHFFFAOYSA-N
MW2598.99 g/mol
LogP43.26
Rot. Bonds21

About 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 165089602) has the molecular formula C182H104N22 and a molecular weight of 2598.99 g/mol. Its IUPAC name is 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
PubChem CID165089602
Molecular FormulaC182H104N22
Molecular Weight2598.99 g/mol
Exact Mass2596.88
IUPAC Name5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/2C61H35N7.C60H34N8/c62-36-39-23-26-58(50(32-39)46-30-40(37-63)29-41(31-46)38-64)68-57-22-12-9-19-49(57)52-33-44(24-27-60(52)68)51-34-45(25-28-59(51)67-55-20-10-7-17-47(55)48-18-8-11-21-56(48)67)54-35-53(42-13-3-1-4-14-42)65-61(66-54)43-15-5-2-6-16-43;62-36-39-23-26-58(50(32-39)46-30-40(37-63)29-41(31-46)38-64)68-57-22-12-9-19-49(57)52-33-44(24-27-60(52)68)51-34-45(25-28-59(51)67-55-20-10-7-17-47(55)48-18-8-11-21-56(48)67)61-65-53(42-13-3-1-4-14-42)35-54(66-61)43-15-5-2-6-16-43;61-35-38-23-26-55(49(32-38)45-30-39(36-62)29-40(31-45)37-63)68-54-22-12-9-19-48(54)51-33-43(24-27-57(51)68)50-34-44(25-28-56(50)67-52-20-10-7-17-46(52)47-18-8-11-21-53(47)67)60-65-58(41-13-3-1-4-14-41)64-59(66-60)42-15-5-2-6-16-42/h2*1-35H;1-34H
InChIKeyWMBOEPJFURLZGM-UHFFFAOYSA-N
XLogP43.26
TPSA333.92 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002598.99
LogP ≤ 543.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164743999
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414575
4-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137421031
4-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421307
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164744087
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
3-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137420961
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
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170445850
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (CID 165089602) is 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The InChIKey is WMBOEPJFURLZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H35N7.C60H34N8/c62-36-39-23-26-58(50(32-39)46-30-40(37-63)29-41(31-46)38-64)68-57-22-12-9-19-49(57)52-33-44(24-27-60(52)68)51-34-45(25-28-59(51)67-55-20-10-7-17-47(55)48-18-8-11-21-56(48)67)54-35-53(42-13-3-1-4-14-42)65-61(66-54)43-15-5-2-6-16-43;62-36-39-23-26-58(50(32-39)46-30-40(37-63)29-41(31-46)38-64)68-57-22-12-9-19-49(57)52-33-44(24-27-60(52)68)51-34-45(25-28-59(51)67-55-20-10-7-17-47(55)48-18-8-11-21-56(48)67)61-65-53(42-13-3-1-4-14-42)35-54(66-61)43-15-5-2-6-16-43;61-35-38-23-26-55(49(32-38)45-30-39(36-62)29-40(31-45)37-63)68-54-22-12-9-19-48(54)51-33-43(24-27-57(51)68)50-34-44(25-28-56(50)67-52-20-10-7-17-46(52)47-18-8-11-21-53(47)67)60-65-58(41-13-3-1-4-14-41)64-59(66-60)42-15-5-2-6-16-42/h2*1-35H;1-34H.
What are the key properties of 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile has a molecular weight of 2598.99 g/mol, XLogP of 43.26, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;5-[2-[3-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 165089602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).