2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile

C180H102N16 — CID 157163741

About 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile

2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile (PubChem CID 157163741) has the molecular formula C180H102N16 and a molecular weight of 2488.91 g/mol. Its IUPAC name is 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile.

Molecular Properties

• Compound Name: 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
• PubChem CID: 157163741
• Molecular Formula: C180H102N16
• Molecular Weight: 2488.91 g/mol
• Exact Mass: 2486.85
• IUPAC Name: 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
• SMILES: [C-]#[N+]c1cc(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc4ccccc4c3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(C#N)cc1-n1c2ccc3ccccc3c2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1cc(-n2c3cccc(-n4c5ccccc5c5ccccc54)c3c3c4ccccc4ccc32)c(C#N)cc1-n1c2cccc(-n3c4ccccc4c4ccccc43)c2c2c3ccccc3ccc21
• InChI: InChI=1S/2C64H36N6.C52H30N4/c1-66-50-37-59(69-55-34-32-39-16-2-4-18-42(39)61(55)48-24-14-30-57(63(48)69)67-51-26-10-6-20-44(51)45-21-7-11-27-52(45)67)41(38-65)36-60(50)70-56-35-33-40-17-3-5-19-43(40)62(56)49-25-15-31-58(64(49)70)68-53-28-12-8-22-46(53)47-23-9-13-29-54(47)68;1-66-48-37-59(69-55-30-14-28-53(63(55)61-42-18-4-2-16-39(42)32-34-57(61)69)67-49-24-10-6-20-44(49)45-21-7-11-25-50(45)67)41(38-65)36-60(48)70-56-31-15-29-54(64(56)62-43-19-5-3-17-40(43)33-35-58(62)70)68-51-26-12-8-22-46(51)47-23-9-13-27-52(47)68;1-54-44-31-49(55-45-24-22-37(33-12-4-2-5-13-33)28-42(45)51-40-18-10-8-16-35(40)20-26-47(51)55)39(32-53)30-50(44)56-46-25-23-38(34-14-6-3-7-15-34)29-43(46)52-41-19-11-9-17-36(41)21-27-48(52)56/h2*2-37H;2-31H
• InChIKey: AMRBRQQNESCASK-UHFFFAOYSA-N
• XLogP: 47.55
• TPSA: 133.75 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2488.91
LogP ≤ 5	47.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?

The IUPAC name of 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile (CID 157163741) is 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile.

What is the SMILES notation for 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?

The canonical SMILES for 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile is [C-]#[N+]c1cc(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc4ccccc4c3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(C#N)cc1-n1c2ccc3ccccc3c2c2cccc(-n3c4ccccc4c4ccccc43)c21.[C-]#[N+]c1cc(-n2c3cccc(-n4c5ccccc5c5ccccc54)c3c3c4ccccc4ccc32)c(C#N)cc1-n1c2cccc(-n3c4ccccc4c4ccccc43)c2c2c3ccccc3ccc21.

What is the InChIKey of 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?

The InChIKey is AMRBRQQNESCASK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H36N6.C52H30N4/c1-66-50-37-59(69-55-34-32-39-16-2-4-18-42(39)61(55)48-24-14-30-57(63(48)69)67-51-26-10-6-20-44(51)45-21-7-11-27-52(45)67)41(38-65)36-60(50)70-56-35-33-40-17-3-5-19-43(40)62(56)49-25-15-31-58(64(49)70)68-53-28-12-8-22-46(53)47-23-9-13-29-54(47)68;1-66-48-37-59(69-55-30-14-28-53(63(55)61-42-18-4-2-16-39(42)32-34-57(61)69)67-49-24-10-6-20-44(49)45-21-7-11-25-50(45)67)41(38-65)36-60(48)70-56-31-15-29-54(64(56)62-43-19-5-3-17-40(43)33-35-58(62)70)68-51-26-12-8-22-46(51)47-23-9-13-27-52(47)68;1-54-44-31-49(55-45-24-22-37(33-12-4-2-5-13-33)28-42(45)51-40-18-10-8-16-35(40)20-26-47(51)55)39(32-53)30-50(44)56-46-25-23-38(34-14-6-3-7-15-34)29-43(46)52-41-19-11-9-17-36(41)21-27-48(52)56/h2*2-37H;2-31H.

What are the key properties of 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?

2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile has a molecular weight of 2488.91 g/mol, XLogP of 47.55, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(8-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(11-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile is sourced from PubChem (CID 157163741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).