2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile

C172H89N21O — CID 161333811

IUPAC2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1c(-c2ccccc2)ccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1ccccc1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H24N6.C46H25N5.C40H19N5O.C40H21N5/c1-50-39-21-7-13-31(28-49)44(39)36-18-10-24-42-45(36)38-20-9-19-37(43-29(26-47)11-6-12-30(43)27-48)46(38)52(42)33-15-8-14-32(25-33)51-40-22-4-2-16-34(40)35-17-3-5-23-41(35)51;1-50-41-22-9-18-34(29-49)44(41)38-19-11-23-42-45(38)40-21-10-20-39(43-32(27-47)16-8-17-33(43)28-48)46(40)51(42)37-25-35(30-12-4-2-5-13-30)24-36(26-37)31-14-6-3-7-15-31;1-44-33-15-5-10-26(23-43)38(33)29-12-7-16-34-39(29)31-14-6-13-30(37-24(21-41)8-4-9-25(37)22-42)40(31)45(34)27-18-19-36-32(20-27)28-11-2-3-17-35(28)46-36;1-44-34-20-9-15-29(25-43)37(34)39-31(26-11-4-2-5-12-26)21-22-35-38(39)33-19-10-18-32(36-27(23-41)13-8-14-28(36)24-42)40(33)45(35)30-16-6-3-7-17-30/h2-25H;2-26H;2-20H;2-22H
InChIKeyVLTNJPPPRNCYNQ-UHFFFAOYSA-N
MW2465.75 g/mol
LogP43.13
Rot. Bonds16

About 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile

2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 161333811) has the molecular formula C172H89N21O and a molecular weight of 2465.75 g/mol. Its IUPAC name is 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
PubChem CID161333811
Molecular FormulaC172H89N21O
Molecular Weight2465.75 g/mol
Exact Mass2463.76
IUPAC Name2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1c(-c2ccccc2)ccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1ccccc1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H24N6.C46H25N5.C40H19N5O.C40H21N5/c1-50-39-21-7-13-31(28-49)44(39)36-18-10-24-42-45(36)38-20-9-19-37(43-29(26-47)11-6-12-30(43)27-48)46(38)52(42)33-15-8-14-32(25-33)51-40-22-4-2-16-34(40)35-17-3-5-23-41(35)51;1-50-41-22-9-18-34(29-49)44(41)38-19-11-23-42-45(38)40-21-10-20-39(43-32(27-47)16-8-17-33(43)28-48)46(40)51(42)37-25-35(30-12-4-2-5-13-30)24-36(26-37)31-14-6-3-7-15-31;1-44-33-15-5-10-26(23-43)38(33)29-12-7-16-34-39(29)31-14-6-13-30(37-24(21-41)8-4-9-25(37)22-42)40(31)45(34)27-18-19-36-32(20-27)28-11-2-3-17-35(28)46-36;1-44-34-20-9-15-29(25-43)37(34)39-31(26-11-4-2-5-12-26)21-22-35-38(39)33-19-10-18-32(36-27(23-41)13-8-14-28(36)24-42)40(33)45(35)30-16-6-3-7-17-30/h2-25H;2-26H;2-20H;2-22H
InChIKeyVLTNJPPPRNCYNQ-UHFFFAOYSA-N
XLogP43.13
TPSA340.71 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002465.75
LogP ≤ 543.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645720
2-[5-(2-cyano-6-isocyanophenyl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645689
2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645790
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158402790
2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 159146349
2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645713
2-[8-(2-cyano-6-isocyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645675
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357386
4-(9-dibenzofuran-2-ylcarbazol-2-yl)-3,9-diphenylcarbazole
CID 90321713
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile (CID 161333811) is 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1cccc(C#N)c1-c1c(-c2ccccc2)ccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1ccccc1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc2c1c1cccc(-c3c(C#N)cccc3C#N)c1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is VLTNJPPPRNCYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N6.C46H25N5.C40H19N5O.C40H21N5/c1-50-39-21-7-13-31(28-49)44(39)36-18-10-24-42-45(36)38-20-9-19-37(43-29(26-47)11-6-12-30(43)27-48)46(38)52(42)33-15-8-14-32(25-33)51-40-22-4-2-16-34(40)35-17-3-5-23-41(35)51;1-50-41-22-9-18-34(29-49)44(41)38-19-11-23-42-45(38)40-21-10-20-39(43-32(27-47)16-8-17-33(43)28-48)46(40)51(42)37-25-35(30-12-4-2-5-13-30)24-36(26-37)31-14-6-3-7-15-31;1-44-33-15-5-10-26(23-43)38(33)29-12-7-16-34-39(29)31-14-6-13-30(37-24(21-41)8-4-9-25(37)22-42)40(31)45(34)27-18-19-36-32(20-27)28-11-2-3-17-35(28)46-36;1-44-34-20-9-15-29(25-43)37(34)39-31(26-11-4-2-5-12-26)21-22-35-38(39)33-19-10-18-32(36-27(23-41)13-8-14-28(36)24-42)40(33)45(35)30-16-6-3-7-17-30/h2-25H;2-26H;2-20H;2-22H.
What are the key properties of 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 2465.75 g/mol, XLogP of 43.13, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 161333811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).