2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile

C177H103N17 — CID 163551344

IUPAC2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(C#N)ccc32)c1.N#Cc1cccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)c1.N#Cc1ccccc1-c1cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccccc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C45H25N5.C44H26N4.C43H27N3/c46-26-29-8-7-9-32(20-29)33-23-34(36-10-1-4-13-41(36)50-42-14-5-2-11-37(42)38-12-3-6-15-43(38)50)25-35(24-33)49-44-18-16-30(27-47)21-39(44)40-22-31(28-48)17-19-45(40)49;46-26-29-17-19-43-39(21-29)37-12-4-6-15-41(37)49(43)35-24-33(31-9-2-1-3-10-31)23-34(25-35)36-14-8-11-32(28-48)45(36)50-42-16-7-5-13-38(42)40-22-30(27-47)18-20-44(40)50;45-27-29-12-1-2-14-34(29)31-24-32(26-33(25-31)47-40-20-7-3-15-36(40)37-16-4-8-21-41(37)47)35-19-11-13-30(28-46)44(35)48-42-22-9-5-17-38(42)39-18-6-10-23-43(39)48;44-28-30-13-1-2-14-31(30)37-26-25-29(27-43(37)46-41-23-11-6-18-35(41)36-19-7-12-24-42(36)46)32-15-3-8-20-38(32)45-39-21-9-4-16-33(39)34-17-5-10-22-40(34)45/h2*1-25H;1-26H;1-27H
InChIKeyFJIBXARQEKWTMS-UHFFFAOYSA-N
MW2467.89 g/mol
LogP43.70
Rot. Bonds16

About 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile

2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile (PubChem CID 163551344) has the molecular formula C177H103N17 and a molecular weight of 2467.89 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile
PubChem CID163551344
Molecular FormulaC177H103N17
Molecular Weight2467.89 g/mol
Exact Mass2465.86
IUPAC Name2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(C#N)ccc32)c1.N#Cc1cccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)c1.N#Cc1ccccc1-c1cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccccc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C45H25N5.C44H26N4.C43H27N3/c46-26-29-8-7-9-32(20-29)33-23-34(36-10-1-4-13-41(36)50-42-14-5-2-11-37(42)38-12-3-6-15-43(38)50)25-35(24-33)49-44-18-16-30(27-47)21-39(44)40-22-31(28-48)17-19-45(40)49;46-26-29-17-19-43-39(21-29)37-12-4-6-15-41(37)49(43)35-24-33(31-9-2-1-3-10-31)23-34(25-35)36-14-8-11-32(28-48)45(36)50-42-16-7-5-13-38(42)40-22-30(27-47)18-20-44(40)50;45-27-29-12-1-2-14-34(29)31-24-32(26-33(25-31)47-40-20-7-3-15-36(40)37-16-4-8-21-41(37)47)35-19-11-13-30(28-46)44(35)48-42-22-9-5-17-38(42)39-18-6-10-23-43(39)48;44-28-30-13-1-2-14-31(30)37-26-25-29(27-43(37)46-41-23-11-6-18-35(41)36-19-7-12-24-42(36)46)32-15-3-8-20-38(32)45-39-21-9-4-16-33(39)34-17-5-10-22-40(34)45/h2*1-25H;1-26H;1-27H
InChIKeyFJIBXARQEKWTMS-UHFFFAOYSA-N
XLogP43.70
TPSA253.55 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002467.89
LogP ≤ 543.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile (CID 163551344) is 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(C#N)ccc32)c1.N#Cc1cccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)c1.N#Cc1ccccc1-c1cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccccc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile?
The InChIKey is FJIBXARQEKWTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H25N5.C44H26N4.C43H27N3/c46-26-29-8-7-9-32(20-29)33-23-34(36-10-1-4-13-41(36)50-42-14-5-2-11-37(42)38-12-3-6-15-43(38)50)25-35(24-33)49-44-18-16-30(27-47)21-39(44)40-22-31(28-48)17-19-45(40)49;46-26-29-17-19-43-39(21-29)37-12-4-6-15-41(37)49(43)35-24-33(31-9-2-1-3-10-31)23-34(25-35)36-14-8-11-32(28-48)45(36)50-42-16-7-5-13-38(42)40-22-30(27-47)18-20-44(40)50;45-27-29-12-1-2-14-34(29)31-24-32(26-33(25-31)47-40-20-7-3-15-36(40)37-16-4-8-21-41(37)47)35-19-11-13-30(28-46)44(35)48-42-22-9-5-17-38(42)39-18-6-10-23-43(39)48;44-28-30-13-1-2-14-31(30)37-26-25-29(27-43(37)46-41-23-11-6-18-35(41)36-19-7-12-24-42(36)46)32-15-3-8-20-38(32)45-39-21-9-4-16-33(39)34-17-5-10-22-40(34)45/h2*1-25H;1-26H;1-27H.
What are the key properties of 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile?
2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile has a molecular weight of 2467.89 g/mol, XLogP of 43.70, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 163551344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).