9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile

C200H116N20 — CID 161181142

IUPAC9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1c(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cccc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/4C50H29N5/c1-52-41-29-28-33(30-40(41)37-18-5-10-24-45(37)54-46-25-11-6-19-39(46)49-32(31-51)14-12-26-47(49)54)53-42-21-7-4-17-36(42)38-20-13-27-48(50(38)53)55-43-22-8-2-15-34(43)35-16-3-9-23-44(35)55;1-52-49-37(35-18-4-9-25-42(35)53-44-27-11-6-20-39(44)48-32(31-51)15-12-28-45(48)53)21-13-29-46(49)55-43-26-10-5-19-36(43)38-22-14-30-47(50(38)55)54-40-23-7-2-16-33(40)34-17-3-8-24-41(34)54;51-30-32-27-34(36-14-1-6-20-42(36)54-46-24-10-5-18-41(46)49-33(31-52)13-11-25-47(49)54)29-35(28-32)53-43-21-7-4-17-39(43)40-19-12-26-48(50(40)53)55-44-22-8-2-15-37(44)38-16-3-9-23-45(38)55;51-30-33-28-27-32(35-14-1-6-20-41(35)53-45-24-10-5-18-40(45)49-34(31-52)13-11-25-46(49)53)29-48(33)55-44-23-9-4-17-38(44)39-19-12-26-47(50(39)55)54-42-21-7-2-15-36(42)37-16-3-8-22-43(37)54/h2*2-30H;2*1-29H
InChIKeyUSLVBHOPPQNELN-UHFFFAOYSA-N
MW2799.27 g/mol
LogP50.91
Rot. Bonds16

About 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile

9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 161181142) has the molecular formula C200H116N20 and a molecular weight of 2799.27 g/mol. Its IUPAC name is 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID161181142
Molecular FormulaC200H116N20
Molecular Weight2799.27 g/mol
Exact Mass2796.97
IUPAC Name9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1c(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cccc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/4C50H29N5/c1-52-41-29-28-33(30-40(41)37-18-5-10-24-45(37)54-46-25-11-6-19-39(46)49-32(31-51)14-12-26-47(49)54)53-42-21-7-4-17-36(42)38-20-13-27-48(50(38)53)55-43-22-8-2-15-34(43)35-16-3-9-23-44(35)55;1-52-49-37(35-18-4-9-25-42(35)53-44-27-11-6-20-39(44)48-32(31-51)15-12-28-45(48)53)21-13-29-46(49)55-43-26-10-5-19-36(43)38-22-14-30-47(50(38)55)54-40-23-7-2-16-33(40)34-17-3-8-24-41(34)54;51-30-32-27-34(36-14-1-6-20-42(36)54-46-24-10-5-18-41(46)49-33(31-52)13-11-25-47(49)54)29-35(28-32)53-43-21-7-4-17-39(43)40-19-12-26-48(50(40)53)55-44-22-8-2-15-37(44)38-16-3-9-23-45(38)55;51-30-33-28-27-32(35-14-1-6-20-41(35)53-45-24-10-5-18-40(45)49-34(31-52)13-11-25-46(49)53)29-48(33)55-44-23-9-4-17-38(44)39-19-12-26-47(50(39)55)54-42-21-7-2-15-36(42)37-16-3-8-22-43(37)54/h2*2-30H;2*1-29H
InChIKeyUSLVBHOPPQNELN-UHFFFAOYSA-N
XLogP50.91
TPSA210.62 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.27
LogP ≤ 550.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile with MolForge

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Related Compounds

9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-4-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155603674
9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162072529
2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158806729
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole
CID 158343073
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile
CID 155603569
9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605038
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155603918
3-carbazol-9-yl-2-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(4-carbazol-9-ylphenyl)benzonitrile;9-[2-[5-(4-carbazol-9-ylphenyl)-2-isocyanophenyl]phenyl]carbazole
CID 157338553
9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile;9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 159514053
9-[3-[2-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[5-(3-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-isocyano-3-[2-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[4-isocyano-3-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 157339409
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile (CID 161181142) is 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1cc(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1c(-c2ccccc2-n2c3ccccc3c3c(C#N)cccc32)cccc1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21.
What is the InChIKey of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is USLVBHOPPQNELN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H29N5/c1-52-41-29-28-33(30-40(41)37-18-5-10-24-45(37)54-46-25-11-6-19-39(46)49-32(31-51)14-12-26-47(49)54)53-42-21-7-4-17-36(42)38-20-13-27-48(50(38)53)55-43-22-8-2-15-34(43)35-16-3-9-23-44(35)55;1-52-49-37(35-18-4-9-25-42(35)53-44-27-11-6-20-39(44)48-32(31-51)15-12-28-45(48)53)21-13-29-46(49)55-43-26-10-5-19-36(43)38-22-14-30-47(50(38)55)54-40-23-7-2-16-33(40)34-17-3-8-24-41(34)54;51-30-32-27-34(36-14-1-6-20-42(36)54-46-24-10-5-18-41(46)49-33(31-52)13-11-25-47(49)54)29-35(28-32)53-43-21-7-4-17-39(43)40-19-12-26-48(50(40)53)55-44-22-8-2-15-37(44)38-16-3-9-23-45(38)55;51-30-33-28-27-32(35-14-1-6-20-41(35)53-45-24-10-5-18-40(45)49-34(31-52)13-11-25-46(49)53)29-48(33)55-44-23-9-4-17-38(44)39-19-12-26-47(50(39)55)54-42-21-7-2-15-36(42)37-16-3-8-22-43(37)54/h2*2-30H;2*1-29H.
What are the key properties of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile has a molecular weight of 2799.27 g/mol, XLogP of 50.91, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 161181142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).