9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile

C134H68F2N14 — CID 159382182

About 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile

9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile (PubChem CID 159382182) has the molecular formula C134H68F2N14 and a molecular weight of 1912.11 g/mol. Its IUPAC name is 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
• PubChem CID: 159382182
• Molecular Formula: C134H68F2N14
• Molecular Weight: 1912.11 g/mol
• Exact Mass: 1910.57
• IUPAC Name: 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-c3c4ccc(-n5c6ccc(C#N)cc6c6cc([N+]#[C-])ccc65)cc4c(-c4ccc(-c5ccc(C#N)cc5)cc4)c4ccc(-n5c6ccc(C#N)cc6c6cc([N+]#[C-])ccc65)cc34)cc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc(-c4ccc(F)cc4)cc3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc(-c4ccc(F)cc4)cc3)c2c1
• InChI: InChI=1S/C68H34N8.C66H34F2N6/c1-72-50-20-18-47(19-21-50)46-12-16-49(17-13-46)68-56-27-25-53(75-63-28-6-42(39-70)32-57(63)59-34-51(73-2)22-30-65(59)75)36-61(56)67(48-14-10-45(11-15-48)44-8-4-41(38-69)5-9-44)55-26-24-54(37-62(55)68)76-64-29-7-43(40-71)33-58(64)60-35-52(74-3)23-31-66(60)76;1-71-49-21-29-63-57(33-49)55-31-39(37-69)3-27-61(55)73(63)51-23-25-53-59(35-51)65(45-9-5-41(6-10-45)43-13-17-47(67)18-14-43)54-26-24-52(36-60(54)66(53)46-11-7-42(8-12-46)44-15-19-48(68)20-16-44)74-62-28-4-40(38-70)32-56(62)58-34-50(72-2)22-30-64(58)74/h4-37H;3-36H
• InChIKey: LLAZEWAHTCOQQX-UHFFFAOYSA-N
• XLogP: 36.10
• TPSA: 160.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1912.11
LogP ≤ 5	36.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile?

The IUPAC name of 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile (CID 159382182) is 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile.

What is the SMILES notation for 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile?

The canonical SMILES for 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile is [C-]#[N+]c1ccc(-c2ccc(-c3c4ccc(-n5c6ccc(C#N)cc6c6cc([N+]#[C-])ccc65)cc4c(-c4ccc(-c5ccc(C#N)cc5)cc4)c4ccc(-n5c6ccc(C#N)cc6c6cc([N+]#[C-])ccc65)cc34)cc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc(-c4ccc(F)cc4)cc3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc(-c4ccc(F)cc4)cc3)c2c1.

What is the InChIKey of 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile?

The InChIKey is LLAZEWAHTCOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H34N8.C66H34F2N6/c1-72-50-20-18-47(19-21-50)46-12-16-49(17-13-46)68-56-27-25-53(75-63-28-6-42(39-70)32-57(63)59-34-51(73-2)22-30-65(59)75)36-61(56)67(48-14-10-45(11-15-48)44-8-4-41(38-69)5-9-44)55-26-24-54(37-62(55)68)76-64-29-7-43(40-71)33-58(64)60-35-52(74-3)23-31-66(60)76;1-71-49-21-29-63-57(33-49)55-31-39(37-69)3-27-61(55)73(63)51-23-25-53-59(35-51)65(45-9-5-41(6-10-45)43-13-17-47(67)18-14-43)54-26-24-52(36-60(54)66(53)46-11-7-42(8-12-46)44-15-19-48(68)20-16-44)74-62-28-4-40(38-70)32-56(62)58-34-50(72-2)22-30-64(58)74/h4-37H;3-36H.

What are the key properties of 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile?

9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile has a molecular weight of 1912.11 g/mol, XLogP of 36.10, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile is sourced from PubChem (CID 159382182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).