9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile

C180H100N20 — CID 161491460

IUPAC9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1cccc(C#N)c1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc([N+]#[C-])ccc43)cc2)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(C#N)cc3-c3ccc(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)c4)cc3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(C#N)cc3-c3ccc(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)c4)cc3)c12
InChIInChI=1S/4C45H25N5/c1-47-33-19-22-44-39(26-33)36-10-3-5-12-41(36)49(44)35-9-7-8-32(25-35)30-15-17-31(18-16-30)38-24-29(28-46)14-21-43(38)50-42-13-6-4-11-37(42)40-27-34(48-2)20-23-45(40)50;1-48-40-13-7-12-37-35-10-2-5-15-42(35)50(45(37)40)43-22-16-29(27-46)24-38(43)32-20-18-31(19-21-32)33-8-6-9-34(26-33)49-41-14-4-3-11-36(41)39-25-30(28-47)17-23-44(39)49;1-48-34-19-20-38-36-9-2-5-12-42(36)50(45(38)26-34)43-21-13-29(27-46)23-39(43)32-17-15-31(16-18-32)33-7-6-8-35(25-33)49-41-11-4-3-10-37(41)40-24-30(28-47)14-22-44(40)49;1-48-34-21-23-44-40(26-34)38-13-7-9-33(28-47)45(38)49(44)35-10-6-8-32(25-35)30-17-19-31(20-18-30)39-24-29(27-46)16-22-43(39)50-41-14-4-2-11-36(41)37-12-3-5-15-42(37)50/h3-27H;3*2-26H
InChIKeyWFQVMPAYZOQGJY-UHFFFAOYSA-N
MW2542.92 g/mol
LogP46.71
Rot. Bonds16

About 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile

9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile (PubChem CID 161491460) has the molecular formula C180H100N20 and a molecular weight of 2542.92 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
PubChem CID161491460
Molecular FormulaC180H100N20
Molecular Weight2542.92 g/mol
Exact Mass2540.84
IUPAC Name9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1cccc(C#N)c1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc([N+]#[C-])ccc43)cc2)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(C#N)cc3-c3ccc(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)c4)cc3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(C#N)cc3-c3ccc(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)c4)cc3)c12
InChIInChI=1S/4C45H25N5/c1-47-33-19-22-44-39(26-33)36-10-3-5-12-41(36)49(44)35-9-7-8-32(25-35)30-15-17-31(18-16-30)38-24-29(28-46)14-21-43(38)50-42-13-6-4-11-37(42)40-27-34(48-2)20-23-45(40)50;1-48-40-13-7-12-37-35-10-2-5-15-42(35)50(45(37)40)43-22-16-29(27-46)24-38(43)32-20-18-31(19-21-32)33-8-6-9-34(26-33)49-41-14-4-3-11-36(41)39-25-30(28-47)17-23-44(39)49;1-48-34-19-20-38-36-9-2-5-12-42(36)50(45(38)26-34)43-21-13-29(27-46)23-39(43)32-17-15-31(16-18-32)33-7-6-8-35(25-33)49-41-11-4-3-10-37(41)40-24-30(28-47)14-22-44(40)49;1-48-34-21-23-44-40(26-34)38-13-7-9-33(28-47)45(38)49(44)35-10-6-8-32(25-35)30-17-19-31(20-18-30)39-24-29(27-46)16-22-43(39)50-41-14-4-2-11-36(41)37-12-3-5-15-42(37)50/h3-27H;3*2-26H
InChIKeyWFQVMPAYZOQGJY-UHFFFAOYSA-N
XLogP46.71
TPSA227.77 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002542.92
LogP ≤ 546.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile with MolForge

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Related Compounds

4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 162222282
9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 158770290
9-[5-isocyano-2-[3-[3-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603946
9-[4-[3-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile
CID 155603716
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-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-2-carbonitrile
CID 155604806
9-[3-[3-[4-isocyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604708
9-[4-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155604099
9-[3-[3-cyano-4-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603697
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603824
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 158431432
9-[5-isocyano-2-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603678

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile (CID 161491460) is 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile is [C-]#[N+]c1ccc2c(c1)c1cccc(C#N)c1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc([N+]#[C-])ccc43)cc2)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(C#N)cc3-c3ccc(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)c4)cc3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(C#N)cc3-c3ccc(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)c4)cc3)c12.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
The InChIKey is WFQVMPAYZOQGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H25N5/c1-47-33-19-22-44-39(26-33)36-10-3-5-12-41(36)49(44)35-9-7-8-32(25-35)30-15-17-31(18-16-30)38-24-29(28-46)14-21-43(38)50-42-13-6-4-11-37(42)40-27-34(48-2)20-23-45(40)50;1-48-40-13-7-12-37-35-10-2-5-15-42(35)50(45(37)40)43-22-16-29(27-46)24-38(43)32-20-18-31(19-21-32)33-8-6-9-34(26-33)49-41-14-4-3-11-36(41)39-25-30(28-47)17-23-44(39)49;1-48-34-19-20-38-36-9-2-5-12-42(36)50(45(38)26-34)43-21-13-29(27-46)23-39(43)32-17-15-31(16-18-32)33-7-6-8-35(25-33)49-41-11-4-3-10-37(41)40-24-30(28-47)14-22-44(40)49;1-48-34-21-23-44-40(26-34)38-13-7-9-33(28-47)45(38)49(44)35-10-6-8-32(25-35)30-17-19-31(20-18-30)39-24-29(27-46)16-22-43(39)50-41-14-4-2-11-36(41)37-12-3-5-15-42(37)50/h3-27H;3*2-26H.
What are the key properties of 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile has a molecular weight of 2542.92 g/mol, XLogP of 46.71, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 161491460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).