4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole

C180H111F10N11O2 — CID 158164830

About 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole

4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 158164830) has the molecular formula C180H111F10N11O2 and a molecular weight of 2649.92 g/mol. Its IUPAC name is 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole
• PubChem CID: 158164830
• Molecular Formula: C180H111F10N11O2
• Molecular Weight: 2649.92 g/mol
• Exact Mass: 2647.88
• IUPAC Name: 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1c2ccccc2c(-c2ccc(C3(c4ccc(-c5c6ccccc6c(-n6c(-c7ccccc7)nnc6-c6ccccc6)c6ccccc56)cc4)c4cc(-c5c(F)c(F)c(F)c(F)c5F)ccc4-c4ccc(-c5c(F)c(F)c(F)c(F)c5F)cc43)cc2)c2ccccc12.Cc1ccc2c(-c3ccc(C4(c5ccc(-c6c7ccccc7c(-c7nnc(-c8ccccc8)o7)c7cc(C)ccc67)cc5)c5cc(-c6nc7ccccc7n6-c6ccccc6)ccc5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc54)cc3)c3ccccc3c(-c3nnc(-c4ccccc4)o3)c2c1
• InChI: InChI=1S/C97H62N8O2.C83H49F10N3/c1-59-39-51-77-79(55-59)89(95-102-100-93(106-95)63-23-7-3-8-24-63)75-33-17-15-31-73(75)87(77)61-41-47-67(48-42-61)97(68-49-43-62(44-50-68)88-74-32-16-18-34-76(74)90(80-56-60(2)40-52-78(80)88)96-103-101-94(107-96)64-25-9-4-10-26-64)81-57-65(91-98-83-35-19-21-37-85(83)104(91)69-27-11-5-12-28-69)45-53-71(81)72-54-46-66(58-82(72)97)92-99-84-36-20-22-38-86(84)105(92)70-29-13-6-14-30-70;1-82(2,3)68-58-26-14-10-22-54(58)64(55-23-11-15-27-59(55)68)44-30-36-50(37-31-44)83(62-42-48(66-69(84)73(88)77(92)74(89)70(66)85)34-40-52(62)53-41-35-49(43-63(53)83)67-71(86)75(90)78(93)76(91)72(67)87)51-38-32-45(33-39-51)65-56-24-12-16-28-60(56)79(61-29-17-13-25-57(61)65)96-80(46-18-6-4-7-19-46)94-95-81(96)47-20-8-5-9-21-47/h3-58H,1-2H3;4-43H,1-3H3
• InChIKey: FWSDGMFLUJMWAE-UHFFFAOYSA-N
• XLogP: 46.99
• TPSA: 144.19 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2649.92
LogP ≤ 5	46.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole?

The IUPAC name of 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole (CID 158164830) is 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole.

What is the SMILES notation for 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole?

The canonical SMILES for 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole is CC(C)(C)c1c2ccccc2c(-c2ccc(C3(c4ccc(-c5c6ccccc6c(-n6c(-c7ccccc7)nnc6-c6ccccc6)c6ccccc56)cc4)c4cc(-c5c(F)c(F)c(F)c(F)c5F)ccc4-c4ccc(-c5c(F)c(F)c(F)c(F)c5F)cc43)cc2)c2ccccc12.Cc1ccc2c(-c3ccc(C4(c5ccc(-c6c7ccccc7c(-c7nnc(-c8ccccc8)o7)c7cc(C)ccc67)cc5)c5cc(-c6nc7ccccc7n6-c6ccccc6)ccc5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc54)cc3)c3ccccc3c(-c3nnc(-c4ccccc4)o3)c2c1.

What is the InChIKey of 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole?

The InChIKey is FWSDGMFLUJMWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H62N8O2.C83H49F10N3/c1-59-39-51-77-79(55-59)89(95-102-100-93(106-95)63-23-7-3-8-24-63)75-33-17-15-31-73(75)87(77)61-41-47-67(48-42-61)97(68-49-43-62(44-50-68)88-74-32-16-18-34-76(74)90(80-56-60(2)40-52-78(80)88)96-103-101-94(107-96)64-25-9-4-10-26-64)81-57-65(91-98-83-35-19-21-37-85(83)104(91)69-27-11-5-12-28-69)45-53-71(81)72-54-46-66(58-82(72)97)92-99-84-36-20-22-38-86(84)105(92)70-29-13-6-14-30-70;1-82(2,3)68-58-26-14-10-22-54(58)64(55-23-11-15-27-59(55)68)44-30-36-50(37-31-44)83(62-42-48(66-69(84)73(88)77(92)74(89)70(66)85)34-40-52(62)53-41-35-49(43-63(53)83)67-71(86)75(90)78(93)76(91)72(67)87)51-38-32-45(33-39-51)65-56-24-12-16-28-60(56)79(61-29-17-13-25-57(61)65)96-80(46-18-6-4-7-19-46)94-95-81(96)47-20-8-5-9-21-47/h3-58H,1-2H3;4-43H,1-3H3.

What are the key properties of 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole?

4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 2649.92 g/mol, XLogP of 46.99, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-[4-[9-[4-(10-tert-butylanthracen-9-yl)phenyl]-2,7-bis(2,3,4,5,6-pentafluorophenyl)fluoren-9-yl]phenyl]anthracen-9-yl]-3,5-diphenyl-1,2,4-triazole;2-[2-methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158164830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).