4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole

C190H102F20N8 — CID 159128300

About 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole

4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole (PubChem CID 159128300) has the molecular formula C190H102F20N8 and a molecular weight of 2876.92 g/mol. Its IUPAC name is 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole.

Molecular Properties

• Compound Name: 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole
• PubChem CID: 159128300
• Molecular Formula: C190H102F20N8
• Molecular Weight: 2876.92 g/mol
• Exact Mass: 2874.79
• IUPAC Name: 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole
• SMILES: Fc1ccc(-c2ccc(-c3c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc4c(-c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc34)cc2)cc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2c1.[C-]#[N+]c1ccc(-c2ccc(-c3c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc4c(-c4ccc(-c5ccc(C#N)cc5)cc4)c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc34)cc2)cc1
• InChI: InChI=1S/C64H34F10N2.C64H34F4N4.C62H34F6N2/c65-43-17-25-57-51(29-43)52-30-44(66)18-26-58(52)75(57)47-22-24-50-55(33-47)61(39-5-1-35(2-6-39)37-9-13-41(14-10-37)63(69,70)71)49-23-21-48(76-59-27-19-45(67)31-53(59)54-32-46(68)20-28-60(54)76)34-56(49)62(50)40-7-3-36(4-8-40)38-11-15-42(16-12-38)64(72,73)74;1-70-48-20-14-41(15-21-48)40-8-12-43(13-9-40)64-52-25-23-49(71-59-26-16-44(65)30-53(59)54-31-45(66)17-27-60(54)71)34-57(52)63(42-10-6-39(7-11-42)38-4-2-37(36-69)3-5-38)51-24-22-50(35-58(51)64)72-61-28-18-46(67)32-55(61)56-33-47(68)19-29-62(56)72;63-41-13-9-37(10-14-41)35-1-5-39(6-2-35)61-49-23-21-48(70-59-27-19-45(67)31-53(59)54-32-46(68)20-28-60(54)70)34-56(49)62(40-7-3-36(4-8-40)38-11-15-42(64)16-12-38)50-24-22-47(33-55(50)61)69-57-25-17-43(65)29-51(57)52-30-44(66)18-26-58(52)69/h1-34H;2-35H;1-34H
• InChIKey: KGOBLTUJNIOOPL-UHFFFAOYSA-N
• XLogP: 54.97
• TPSA: 57.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2876.92
LogP ≤ 5	54.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole?

The IUPAC name of 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole (CID 159128300) is 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole.

What is the SMILES notation for 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole?

The canonical SMILES for 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole is Fc1ccc(-c2ccc(-c3c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc4c(-c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc34)cc2)cc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2c1.[C-]#[N+]c1ccc(-c2ccc(-c3c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc4c(-c4ccc(-c5ccc(C#N)cc5)cc4)c4ccc(-n5c6ccc(F)cc6c6cc(F)ccc65)cc34)cc2)cc1.

What is the InChIKey of 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole?

The InChIKey is KGOBLTUJNIOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34F10N2.C64H34F4N4.C62H34F6N2/c65-43-17-25-57-51(29-43)52-30-44(66)18-26-58(52)75(57)47-22-24-50-55(33-47)61(39-5-1-35(2-6-39)37-9-13-41(14-10-37)63(69,70)71)49-23-21-48(76-59-27-19-45(67)31-53(59)54-32-46(68)20-28-60(54)76)34-56(49)62(50)40-7-3-36(4-8-40)38-11-15-42(16-12-38)64(72,73)74;1-70-48-20-14-41(15-21-48)40-8-12-43(13-9-40)64-52-25-23-49(71-59-26-16-44(65)30-53(59)54-31-45(66)17-27-60(54)71)34-57(52)63(42-10-6-39(7-11-42)38-4-2-37(36-69)3-5-38)51-24-22-50(35-58(51)64)72-61-28-18-46(67)32-55(61)56-33-47(68)19-29-62(56)72;63-41-13-9-37(10-14-41)35-1-5-39(6-2-35)61-49-23-21-48(70-59-27-19-45(67)31-53(59)54-32-46(68)20-28-60(54)70)34-56(49)62(40-7-3-36(4-8-40)38-11-15-42(64)16-12-38)50-24-22-47(33-55(50)61)69-57-25-17-43(65)29-51(57)52-30-44(66)18-26-58(52)69/h1-34H;2-35H;1-34H.

What are the key properties of 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole?

4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole has a molecular weight of 2876.92 g/mol, XLogP of 54.97, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 159128300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).