3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile

C190H110F3N19O — CID 157223141

IUPAC3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile
SMILESCOc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(C#N)c1-n1c2ccccc2c2cc(C#N)ccc21.N#Cc1cc(-c2c(C#N)ccc(F)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(F)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc(F)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C39H21N5.C39H24N4O.C38H21FN4.2C37H22FN3/c40-22-25-13-16-38-32(19-25)33-20-26(23-41)14-17-39(33)43(38)34-18-15-27(21-28(34)24-42)29-7-1-4-10-35(29)44-36-11-5-2-8-30(36)31-9-3-6-12-37(31)44;1-44-38-22-27(42-34-14-5-2-10-28(34)29-11-3-6-15-35(29)42)18-19-31(38)32-13-8-9-26(24-41)39(32)43-36-16-7-4-12-30(36)33-21-25(23-40)17-20-37(33)43;39-31-19-17-25(22-40)37(38(31)43-35-15-7-3-11-29(35)30-12-4-8-16-36(30)43)24-18-20-32(26(21-24)23-41)42-33-13-5-1-9-27(33)28-10-2-6-14-34(28)42;38-32-15-9-14-31(37(32)41-35-18-7-3-12-29(35)30-13-4-8-19-36(30)41)26-21-20-25(22-24(26)23-39)40-33-16-5-1-10-27(33)28-11-2-6-17-34(28)40;38-31-22-19-25(23-39)37(41-34-15-7-3-11-29(34)30-12-4-8-16-35(30)41)36(31)24-17-20-26(21-18-24)40-32-13-5-1-9-27(32)28-10-2-6-14-33(28)40/h1-21H;2-22H,1H3;1-21H;2*1-22H
InChIKeyATFQWJSKNMVYLU-UHFFFAOYSA-N
MW2732.10 g/mol
LogP47.01
Rot. Bonds16

About 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile

3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile (PubChem CID 157223141) has the molecular formula C190H110F3N19O and a molecular weight of 2732.10 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile
PubChem CID157223141
Molecular FormulaC190H110F3N19O
Molecular Weight2732.10 g/mol
Exact Mass2729.91
IUPAC Name3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile
SMILESCOc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(C#N)c1-n1c2ccccc2c2cc(C#N)ccc21.N#Cc1cc(-c2c(C#N)ccc(F)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(F)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc(F)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C39H21N5.C39H24N4O.C38H21FN4.2C37H22FN3/c40-22-25-13-16-38-32(19-25)33-20-26(23-41)14-17-39(33)43(38)34-18-15-27(21-28(34)24-42)29-7-1-4-10-35(29)44-36-11-5-2-8-30(36)31-9-3-6-12-37(31)44;1-44-38-22-27(42-34-14-5-2-10-28(34)29-11-3-6-15-35(29)42)18-19-31(38)32-13-8-9-26(24-41)39(32)43-36-16-7-4-12-30(36)33-21-25(23-40)17-20-37(33)43;39-31-19-17-25(22-40)37(38(31)43-35-15-7-3-11-29(35)30-12-4-8-16-36(30)43)24-18-20-32(26(21-24)23-41)42-33-13-5-1-9-27(33)28-10-2-6-14-34(28)42;38-32-15-9-14-31(37(32)41-35-18-7-3-12-29(35)30-13-4-8-19-36(30)41)26-21-20-25(22-24(26)23-39)40-33-16-5-1-10-27(33)28-11-2-6-17-34(28)40;38-31-22-19-25(23-39)37(41-34-15-7-3-11-29(34)30-12-4-8-16-35(30)41)36(31)24-17-20-26(21-18-24)40-32-13-5-1-9-27(32)28-10-2-6-14-33(28)40/h1-21H;2-22H,1H3;1-21H;2*1-22H
InChIKeyATFQWJSKNMVYLU-UHFFFAOYSA-N
XLogP47.01
TPSA272.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002732.10
LogP ≤ 547.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile (CID 157223141) is 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile is COc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(C#N)c1-n1c2ccccc2c2cc(C#N)ccc21.N#Cc1cc(-c2c(C#N)ccc(F)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(F)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc(F)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1C#N.
What is the InChIKey of 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is ATFQWJSKNMVYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H21N5.C39H24N4O.C38H21FN4.2C37H22FN3/c40-22-25-13-16-38-32(19-25)33-20-26(23-41)14-17-39(33)43(38)34-18-15-27(21-28(34)24-42)29-7-1-4-10-35(29)44-36-11-5-2-8-30(36)31-9-3-6-12-37(31)44;1-44-38-22-27(42-34-14-5-2-10-28(34)29-11-3-6-15-35(29)42)18-19-31(38)32-13-8-9-26(24-41)39(32)43-36-16-7-4-12-30(36)33-21-25(23-40)17-20-37(33)43;39-31-19-17-25(22-40)37(38(31)43-35-15-7-3-11-29(35)30-12-4-8-16-36(30)43)24-18-20-32(26(21-24)23-41)42-33-13-5-1-9-27(33)28-10-2-6-14-34(28)42;38-32-15-9-14-31(37(32)41-35-18-7-3-12-29(35)30-13-4-8-19-36(30)41)26-21-20-25(22-24(26)23-39)40-33-16-5-1-10-27(33)28-11-2-6-17-34(28)40;38-31-22-19-25(23-39)37(41-34-15-7-3-11-29(34)30-12-4-8-16-35(30)41)36(31)24-17-20-26(21-18-24)40-32-13-5-1-9-27(32)28-10-2-6-14-33(28)40/h1-21H;2-22H,1H3;1-21H;2*1-22H.
What are the key properties of 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile?
3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 2732.10 g/mol, XLogP of 47.01, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-(4-carbazol-9-yl-3-cyanophenyl)-4-fluorobenzonitrile;5-carbazol-9-yl-2-(2-carbazol-9-yl-3-fluorophenyl)benzonitrile;2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-4-fluorobenzonitrile;9-[2-(4-carbazol-9-yl-2-methoxyphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 157223141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).